1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol

C9H14F4O — CID 127003791

IUPAC1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
SMILESCC(F)(F)C(O)CC1CCC(F)(F)C1
InChIInChI=1S/C9H14F4O/c1-8(10,11)7(14)4-6-2-3-9(12,13)5-6/h6-7,14H,2-5H2,1H3
InChIKeyAPMCQENREVSJDM-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.83
Rot. Bonds3

About 1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol

1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol (PubChem CID 127003791) has the molecular formula C9H14F4O and a molecular weight of 214.20 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
PubChem CID127003791
Molecular FormulaC9H14F4O
Molecular Weight214.20 g/mol
Exact Mass214.10
IUPAC Name1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
SMILESCC(F)(F)C(O)CC1CCC(F)(F)C1
InChIInChI=1S/C9H14F4O/c1-8(10,11)7(14)4-6-2-3-9(12,13)5-6/h6-7,14H,2-5H2,1H3
InChIKeyAPMCQENREVSJDM-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
CID 130487394
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
CID 114224509
1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-ol
CID 114225887
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
2-amino-3-(3,3-difluorocyclopentyl)propanamide
CID 130487339
1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 114224973
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
CID 130487636

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol (CID 127003791) is 1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol is CC(F)(F)C(O)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol?
The InChIKey is APMCQENREVSJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O/c1-8(10,11)7(14)4-6-2-3-9(12,13)5-6/h6-7,14H,2-5H2,1H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol?
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol has a molecular weight of 214.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol is sourced from PubChem (CID 127003791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).