1-methoxy-2,3,4,5,6-pentafluorocyclohexane | SBID = 1382 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 6.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C7H9F5O
M / g/mol: 204.137776
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 1-methoxy-2,3,4,5,6-pentafluorocyclohexane
  • Preferred Abbreviation: 1-methoxy-2,3,4,5,6-pentafluorocyclohexane
  • IUPAC Name:
  • CAS:
  • CID: -507
  • InChiKey: VRVQESIASBFNJN-UHFFFAOYSA-N
  • InChi: InChI=1S/C7H9F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-7H,1H3
  • CanoSmiles: CO[C@@H]1[C@H](F)[C@H](F)[C@@H]([C@@H]([C@@H]1F)F)F
  • IsoSmiles: [H][C@]1(OC)[C@]([C@@]([C@](F)([H])[C@](F)([H])[C@]1(F)[H])([H])F)(F)[H]