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

C9H16F2O — CID 130487394

IUPAC1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CCC(F)(F)C1
InChIInChI=1S/C9H16F2O/c1-8(2,12)5-7-3-4-9(10,11)6-7/h7,12H,3-6H2,1-2H3
InChIKeyWZRUNIQFSLINDU-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.58
Rot. Bonds2

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

1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol (PubChem CID 130487394) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
PubChem CID130487394
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CCC(F)(F)C1
InChIInChI=1S/C9H16F2O/c1-8(2,12)5-7-3-4-9(10,11)6-7/h7,12H,3-6H2,1-2H3
InChIKeyWZRUNIQFSLINDU-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
CID 130487636
3-[(3,3-difluorocyclopentyl)methyl]-3-hydroxy-2,2-dimethylpentanoic acid
CID 123297799
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791
1-amino-2-[(3,3-difluorocyclohexyl)methyl]-3,3-dimethylbutan-2-ol
CID 114224520
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
1-cyclopropyl-2-methylpropan-2-ol;hydrochloride
CID 67125178
1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol
CID 114224511
2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol
CID 114225416
O-[(3,3-difluorocyclopentyl)methyl]hydroxylamine
CID 126974531
1-cyclopentyl-2-methylpropan-2-ol
CID 18424051
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol (CID 130487394) is 1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol is CC(C)(O)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol?
The InChIKey is WZRUNIQFSLINDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-8(2,12)5-7-3-4-9(10,11)6-7/h7,12H,3-6H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol?
1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol has a molecular weight of 178.22 g/mol, XLogP of 2.58, 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)-2-methylpropan-2-ol is sourced from PubChem (CID 130487394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).