(1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol

C6H8F2O — CID 67519512

IUPAC(1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol
SMILESOC1C[C@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C6H8F2O/c7-6(8)4-1-3(9)2-5(4)6/h3-5,9H,1-2H2/t4-,5-/m0/s1
InChIKeyVNYQQAAMRUPWKK-WHFBIAKZSA-N
MW134.12 g/mol
LogP1.02
Rot. Bonds

About (1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol

(1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol (PubChem CID 67519512) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is (1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name(1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol
PubChem CID67519512
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name(1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol
SMILESOC1C[C@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C6H8F2O/c7-6(8)4-1-3(9)2-5(4)6/h3-5,9H,1-2H2/t4-,5-/m0/s1
InChIKeyVNYQQAAMRUPWKK-WHFBIAKZSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol?
The IUPAC name of (1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol (CID 67519512) is (1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for (1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for (1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol is OC1C[C@H]2[C@H](C1)C2(F)F.
What is the InChIKey of (1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol?
The InChIKey is VNYQQAAMRUPWKK-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H8F2O/c7-6(8)4-1-3(9)2-5(4)6/h3-5,9H,1-2H2/t4-,5-/m0/s1.
What are the key properties of (1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol?
(1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol has a molecular weight of 134.12 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 67519512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).