[(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol

C8H14F2O — CID 118558757

IUPAC[(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol
SMILESC[C@@H]1CC[C@@H](CO)CC1(F)F
InChIInChI=1S/C8H14F2O/c1-6-2-3-7(5-11)4-8(6,9)10/h6-7,11H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyPAOSXXXLFSLNGP-RNFRBKRXSA-N
MW164.19 g/mol
LogP2.05
Rot. Bonds1

About [(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol

[(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol (PubChem CID 118558757) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is [(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol
PubChem CID118558757
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name[(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol
SMILESC[C@@H]1CC[C@@H](CO)CC1(F)F
InChIInChI=1S/C8H14F2O/c1-6-2-3-7(5-11)4-8(6,9)10/h6-7,11H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyPAOSXXXLFSLNGP-RNFRBKRXSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol?
The IUPAC name of [(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol (CID 118558757) is [(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol.
What is the SMILES notation for [(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol?
The canonical SMILES for [(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol is C[C@@H]1CC[C@@H](CO)CC1(F)F.
What is the InChIKey of [(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol?
The InChIKey is PAOSXXXLFSLNGP-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14F2O/c1-6-2-3-7(5-11)4-8(6,9)10/h6-7,11H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of [(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol?
[(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol has a molecular weight of 164.19 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol is sourced from PubChem (CID 118558757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).