2-cyclopentyl-2,2-difluoroacetic acid

C7H10F2O2 — CID 39058298

IUPAC2-cyclopentyl-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1CCCC1
InChIInChI=1S/C7H10F2O2/c8-7(9,6(10)11)5-3-1-2-4-5/h5H,1-4H2,(H,10,11)
InChIKeyNIQKZPMQKFUNPD-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.90
Rot. Bonds2

About 2-cyclopentyl-2,2-difluoroacetic acid

2-cyclopentyl-2,2-difluoroacetic acid (PubChem CID 39058298) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 2-cyclopentyl-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2,2-difluoroacetic acid
PubChem CID39058298
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name2-cyclopentyl-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1CCCC1
InChIInChI=1S/C7H10F2O2/c8-7(9,6(10)11)5-3-1-2-4-5/h5H,1-4H2,(H,10,11)
InChIKeyNIQKZPMQKFUNPD-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopentanepropanoic acid
CID 8818
Cyclopentylacetic acid
CID 71606
4,4-Difluorocyclohexanecarboxylic acid
CID 2779136
4-Fluorocyclohexane-1-carboxylic acid
CID 11999998
1-Fluorocyclopentane-1-carboxylic acid
CID 21274053
2-(4,4-Difluorocyclohexyl)acetic acid
CID 53420743
2-Cyclohexyl-2,2-difluoroacetic acid
CID 23365713
4-(Trifluoromethyl)cyclohexanecarboxylic acid
CID 2779182
3-(Trifluoromethyl)cyclohexane-1-carboxylic acid
CID 13642468
3,3-Difluorocyclopentane-1-carboxylic acid
CID 53403837
1-(Trifluoromethyl)cyclopentane-1-carboxylic acid
CID 15507525
3-Fluorocyclopentane-1-carboxylic acid
CID 21540877

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2,2-difluoroacetic acid?
The IUPAC name of 2-cyclopentyl-2,2-difluoroacetic acid (CID 39058298) is 2-cyclopentyl-2,2-difluoroacetic acid.
What is the SMILES notation for 2-cyclopentyl-2,2-difluoroacetic acid?
The canonical SMILES for 2-cyclopentyl-2,2-difluoroacetic acid is O=C(O)C(F)(F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2,2-difluoroacetic acid?
The InChIKey is NIQKZPMQKFUNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-7(9,6(10)11)5-3-1-2-4-5/h5H,1-4H2,(H,10,11).
What are the key properties of 2-cyclopentyl-2,2-difluoroacetic acid?
2-cyclopentyl-2,2-difluoroacetic acid has a molecular weight of 164.15 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2,2-difluoroacetic acid is sourced from PubChem (CID 39058298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).