1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol

C10H18F2O — CID 103845861

IUPAC1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(C(F)F)C1
InChIInChI=1S/C10H18F2O/c1-7(2)8-4-3-5-10(13,6-8)9(11)12/h7-9,13H,3-6H2,1-2H3
InChIKeyHDHNSQWGZVVLPK-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.83
Rot. Bonds2

About 1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol

1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 103845861) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol
PubChem CID103845861
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(C(F)F)C1
InChIInChI=1S/C10H18F2O/c1-7(2)8-4-3-5-10(13,6-8)9(11)12/h7-9,13H,3-6H2,1-2H3
InChIKeyHDHNSQWGZVVLPK-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-3-(2-methylpropyl)cyclohexanol
CID 22476645
1-Ethyl-3-methylcyclohexan-1-ol
CID 2750694
2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
4-(tert-Butyl)-1-(trifluoromethyl)cyclohexanol
CID 14270574
2-(3-Methylcyclohexyl)propan-2-ol
CID 521859
Isopropyl-5-methylcyclohexanol
CID 43809229
(1R)-3-methyl-1-propan-2-ylcyclohexan-1-ol
CID 118858375
9,9,9-Trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol
CID 23272476
1,1,1,3,3,3-Hexafluoro-2-cyclohexyl-2-propanol
CID 11149363
1-Methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
CID 14412982
1,1-Dicyclohexyl-2,2,2-trifluoroethanol
CID 15537559
1-Methyl-3-(trifluoromethyl)cyclohexan-1-ol
CID 18336101

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol (CID 103845861) is 1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(C(F)F)C1.
What is the InChIKey of 1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is HDHNSQWGZVVLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-7(2)8-4-3-5-10(13,6-8)9(11)12/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol?
1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 192.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 103845861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).