1-cyclohexyl-3,3-difluorobutan-2-ol

C10H18F2O — CID 131122835

IUPAC1-cyclohexyl-3,3-difluorobutan-2-ol
SMILESCC(F)(F)C(O)CC1CCCCC1
InChIInChI=1S/C10H18F2O/c1-10(11,12)9(13)7-8-5-3-2-4-6-8/h8-9,13H,2-7H2,1H3
InChIKeyXFVUSCOJFLUNEJ-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.97
Rot. Bonds3

About 1-cyclohexyl-3,3-difluorobutan-2-ol

1-cyclohexyl-3,3-difluorobutan-2-ol (PubChem CID 131122835) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-difluorobutan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3,3-difluorobutan-2-ol
PubChem CID131122835
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1-cyclohexyl-3,3-difluorobutan-2-ol
SMILESCC(F)(F)C(O)CC1CCCCC1
InChIInChI=1S/C10H18F2O/c1-10(11,12)9(13)7-8-5-3-2-4-6-8/h8-9,13H,2-7H2,1H3
InChIKeyXFVUSCOJFLUNEJ-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 103448798
1-cyclohexyl-3-ethylpentane-2,3-diol
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CID 112575215
1-cyclopentyl-3,3-difluorobutan-2-amine
CID 84656075
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-cyclobutyl-3,3-dimethylpentan-2-ol
CID 115802513
1-cyclopentyl-3-methoxy-3-methylpentan-2-ol
CID 116751802
(2S,3R,5S)-2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18655656
(2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
CID 2315335
3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
CID 115755879
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3-difluorobutan-2-ol?
The IUPAC name of 1-cyclohexyl-3,3-difluorobutan-2-ol (CID 131122835) is 1-cyclohexyl-3,3-difluorobutan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3,3-difluorobutan-2-ol?
The canonical SMILES for 1-cyclohexyl-3,3-difluorobutan-2-ol is CC(F)(F)C(O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,3-difluorobutan-2-ol?
The InChIKey is XFVUSCOJFLUNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-10(11,12)9(13)7-8-5-3-2-4-6-8/h8-9,13H,2-7H2,1H3.
What are the key properties of 1-cyclohexyl-3,3-difluorobutan-2-ol?
1-cyclohexyl-3,3-difluorobutan-2-ol has a molecular weight of 192.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-difluorobutan-2-ol is sourced from PubChem (CID 131122835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).