4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol

C14H26F2O — CID 129228274

IUPAC4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol
SMILESCCCCC(F)(F)C(O)CCC1CCC(C)C1
InChIInChI=1S/C14H26F2O/c1-3-4-9-14(15,16)13(17)8-7-12-6-5-11(2)10-12/h11-13,17H,3-10H2,1-2H3
InChIKeyCXANLKGMOHQIEN-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.39
Rot. Bonds7

About 4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol

4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol (PubChem CID 129228274) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol.

Molecular Properties

Compound Name4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol
PubChem CID129228274
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol
SMILESCCCCC(F)(F)C(O)CCC1CCC(C)C1
InChIInChI=1S/C14H26F2O/c1-3-4-9-14(15,16)13(17)8-7-12-6-5-11(2)10-12/h11-13,17H,3-10H2,1-2H3
InChIKeyCXANLKGMOHQIEN-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pentylcyclopentan-1-ol
CID 3019960
cis-2-Pentylcyclopentanol
CID 66770343
(2S)-2-(Nonafluorobutyl)octan-1-ol
CID 121008108
3-(3-Methylcyclopentyl)propan-1-ol
CID 146742084
2,5-Diethylcyclopentan-1-ol
CID 226595
1-Cyclopentyloctan-1-ol
CID 3730490
(2S)-2-(trifluoromethyl)octan-1-ol
CID 135054070
(2S)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)octan-1-ol
CID 154715377
(2S)-2-(1,1,2,2,2-pentafluoroethyl)octan-1-ol
CID 154717484
6-(Difluoromethyl)-3,7-dimethyloctan-1-ol
CID 166444510
1-Cyclopentylpropan-2-ol
CID 21741842
Cyclopentylhexanol-1
CID 62606146

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol?
The IUPAC name of 4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol (CID 129228274) is 4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol.
What is the SMILES notation for 4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol?
The canonical SMILES for 4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol is CCCCC(F)(F)C(O)CCC1CCC(C)C1.
What is the InChIKey of 4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol?
The InChIKey is CXANLKGMOHQIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O/c1-3-4-9-14(15,16)13(17)8-7-12-6-5-11(2)10-12/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol?
4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol has a molecular weight of 248.36 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(3-methylcyclopentyl)octan-3-ol is sourced from PubChem (CID 129228274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).