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

C8H14F2O — CID 130487406

IUPAC1-(3,3-difluorocyclopentyl)propan-2-ol
SMILESCC(O)CC1CCC(F)(F)C1
InChIInChI=1S/C8H14F2O/c1-6(11)4-7-2-3-8(9,10)5-7/h6-7,11H,2-5H2,1H3
InChIKeyDTIMSDMXTFWXCI-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.19
Rot. Bonds2

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

1-(3,3-difluorocyclopentyl)propan-2-ol (PubChem CID 130487406) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)propan-2-ol.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)propan-2-ol
PubChem CID130487406
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name1-(3,3-difluorocyclopentyl)propan-2-ol
SMILESCC(O)CC1CCC(F)(F)C1
InChIInChI=1S/C8H14F2O/c1-6(11)4-7-2-3-8(9,10)5-7/h6-7,11H,2-5H2,1H3
InChIKeyDTIMSDMXTFWXCI-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791
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-amino-3-(3,3-difluorocyclopentyl)propanamide
CID 130487339
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
methyl (2S)-2-[[(1S)-3,3-difluorocyclopentyl]methyl]butanoate
CID 58484957
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
CID 130487394

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)propan-2-ol?
The IUPAC name of 1-(3,3-difluorocyclopentyl)propan-2-ol (CID 130487406) is 1-(3,3-difluorocyclopentyl)propan-2-ol.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)propan-2-ol?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)propan-2-ol is CC(O)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)propan-2-ol?
The InChIKey is DTIMSDMXTFWXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-6(11)4-7-2-3-8(9,10)5-7/h6-7,11H,2-5H2,1H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)propan-2-ol?
1-(3,3-difluorocyclopentyl)propan-2-ol has a molecular weight of 164.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)propan-2-ol is sourced from PubChem (CID 130487406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).