(2,2-difluoro-1-methylcyclohexyl)methanol

C8H14F2O — CID 105432379

IUPAC(2,2-difluoro-1-methylcyclohexyl)methanol
SMILESCC1(CO)CCCCC1(F)F
InChIInChI=1S/C8H14F2O/c1-7(6-11)4-2-3-5-8(7,9)10/h11H,2-6H2,1H3
InChIKeyBALRBEOKAXBKSP-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.19
Rot. Bonds1

About (2,2-difluoro-1-methylcyclohexyl)methanol

(2,2-difluoro-1-methylcyclohexyl)methanol (PubChem CID 105432379) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is (2,2-difluoro-1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,2-difluoro-1-methylcyclohexyl)methanol
PubChem CID105432379
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name(2,2-difluoro-1-methylcyclohexyl)methanol
SMILESCC1(CO)CCCCC1(F)F
InChIInChI=1S/C8H14F2O/c1-7(6-11)4-2-3-5-8(7,9)10/h11H,2-6H2,1H3
InChIKeyBALRBEOKAXBKSP-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,6,6,7,7,7-Heptafluoro-4,4-bis(trifluoromethyl)heptan-1-ol
CID 13637735
(1-Methylcyclohexyl)methanol
CID 1501840
(4,4-Difluorocyclohexyl)methanol
CID 21184133
(1-Pentylcyclohexyl)methanol
CID 57316979
Alcohols, C8-14, gamma-omega-perfluoro
CID 110094
2-(1-Methylcyclohexyl)ethanol
CID 231930
2-(4,4-Difluorocyclohexyl)ethan-1-ol
CID 66583726
(1-(Trifluoromethyl)cyclohexyl)methanol
CID 86703447
{6,6-Difluorospiro[2.5]octan-1-yl}methanol
CID 135392735
[3-(Trifluoromethyl)cyclohexyl]methanol
CID 57482808
(2,2-Difluorocyclohexyl)methanol
CID 84020822
[(1S)-3,3-difluorocyclohexyl]methanol
CID 98865387

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-methylcyclohexyl)methanol?
The IUPAC name of (2,2-difluoro-1-methylcyclohexyl)methanol (CID 105432379) is (2,2-difluoro-1-methylcyclohexyl)methanol.
What is the SMILES notation for (2,2-difluoro-1-methylcyclohexyl)methanol?
The canonical SMILES for (2,2-difluoro-1-methylcyclohexyl)methanol is CC1(CO)CCCCC1(F)F.
What is the InChIKey of (2,2-difluoro-1-methylcyclohexyl)methanol?
The InChIKey is BALRBEOKAXBKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-7(6-11)4-2-3-5-8(7,9)10/h11H,2-6H2,1H3.
What are the key properties of (2,2-difluoro-1-methylcyclohexyl)methanol?
(2,2-difluoro-1-methylcyclohexyl)methanol has a molecular weight of 164.19 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-methylcyclohexyl)methanol is sourced from PubChem (CID 105432379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).