3,3-difluoro-4-methylcyclopentan-1-ol

C6H10F2O — CID 126599323

IUPAC3,3-difluoro-4-methylcyclopentan-1-ol
SMILESCC1CC(O)CC1(F)F
InChIInChI=1S/C6H10F2O/c1-4-2-5(9)3-6(4,7)8/h4-5,9H,2-3H2,1H3
InChIKeyUEMKBHHHXWFDFY-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.41
Rot. Bonds

About 3,3-difluoro-4-methylcyclopentan-1-ol

3,3-difluoro-4-methylcyclopentan-1-ol (PubChem CID 126599323) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3,3-difluoro-4-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-4-methylcyclopentan-1-ol
PubChem CID126599323
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3,3-difluoro-4-methylcyclopentan-1-ol
SMILESCC1CC(O)CC1(F)F
InChIInChI=1S/C6H10F2O/c1-4-2-5(9)3-6(4,7)8/h4-5,9H,2-3H2,1H3
InChIKeyUEMKBHHHXWFDFY-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methylcyclopentanol, mixed isomers
CID 86785
(3,3-Difluorocyclopentyl)methanol
CID 59340973
1-Cyclopentyl-2,2,2-trifluoroethan-1-ol
CID 62070207
(1R)-3,3-Difluorocyclopentanemethanol
CID 72208028
(2,2-Difluorocyclopentyl)methanol
CID 84020623
3-(Trifluoromethyl)cyclopentan-1-ol
CID 84020902
Cyclopentanol, 3-methyl-, trans-
CID 7006447
(1R,3S)-3-methylcyclopentan-1-ol
CID 7788749
(2S,3S)-6,6,6-trifluoro-3-methylhexan-2-ol
CID 164673562
Cyclopentanol, 3-methyl-, cis-
CID 7784783
(2R)-4-ethyl-1,1,1-trifluorohexan-2-ol
CID 18396349
(2R)-1,1,1-trifluoro-5-methylhexan-2-ol
CID 18396353

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methylcyclopentan-1-ol?
The IUPAC name of 3,3-difluoro-4-methylcyclopentan-1-ol (CID 126599323) is 3,3-difluoro-4-methylcyclopentan-1-ol.
What is the SMILES notation for 3,3-difluoro-4-methylcyclopentan-1-ol?
The canonical SMILES for 3,3-difluoro-4-methylcyclopentan-1-ol is CC1CC(O)CC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methylcyclopentan-1-ol?
The InChIKey is UEMKBHHHXWFDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-4-2-5(9)3-6(4,7)8/h4-5,9H,2-3H2,1H3.
What are the key properties of 3,3-difluoro-4-methylcyclopentan-1-ol?
3,3-difluoro-4-methylcyclopentan-1-ol has a molecular weight of 136.14 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylcyclopentan-1-ol is sourced from PubChem (CID 126599323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).