[(1S)-3,3-difluorocyclohexyl]methanol

C7H12F2O — CID 98865387

IUPAC[(1S)-3,3-difluorocyclohexyl]methanol
SMILESOC[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C7H12F2O/c8-7(9)3-1-2-6(4-7)5-10/h6,10H,1-5H2/t6-/m0/s1
InChIKeyBVOAPBKICTZRNM-LURJTMIESA-N
MW150.17 g/mol
LogP1.80
Rot. Bonds1

About [(1S)-3,3-difluorocyclohexyl]methanol

[(1S)-3,3-difluorocyclohexyl]methanol (PubChem CID 98865387) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is [(1S)-3,3-difluorocyclohexyl]methanol.

Molecular Properties

Compound Name[(1S)-3,3-difluorocyclohexyl]methanol
PubChem CID98865387
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name[(1S)-3,3-difluorocyclohexyl]methanol
SMILESOC[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C7H12F2O/c8-7(9)3-1-2-6(4-7)5-10/h6,10H,1-5H2/t6-/m0/s1
InChIKeyBVOAPBKICTZRNM-LURJTMIESA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-3,3-difluorocyclohexyl]methanol?
The IUPAC name of [(1S)-3,3-difluorocyclohexyl]methanol (CID 98865387) is [(1S)-3,3-difluorocyclohexyl]methanol.
What is the SMILES notation for [(1S)-3,3-difluorocyclohexyl]methanol?
The canonical SMILES for [(1S)-3,3-difluorocyclohexyl]methanol is OC[C@H]1CCCC(F)(F)C1.
What is the InChIKey of [(1S)-3,3-difluorocyclohexyl]methanol?
The InChIKey is BVOAPBKICTZRNM-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F2O/c8-7(9)3-1-2-6(4-7)5-10/h6,10H,1-5H2/t6-/m0/s1.
What are the key properties of [(1S)-3,3-difluorocyclohexyl]methanol?
[(1S)-3,3-difluorocyclohexyl]methanol has a molecular weight of 150.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3,3-difluorocyclohexyl]methanol is sourced from PubChem (CID 98865387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).