2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid

C9H12F4O2 — CID 115036499

IUPAC2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(CC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H12F4O2/c10-8(7(14)15,9(11,12)13)5-6-3-1-2-4-6/h6H,1-5H2,(H,14,15)
InChIKeyUAGIALMDDYOPPG-UHFFFAOYSA-N
MW228.18 g/mol
LogP2.92
Rot. Bonds3

About 2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid

2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid (PubChem CID 115036499) has the molecular formula C9H12F4O2 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid
PubChem CID115036499
Molecular FormulaC9H12F4O2
Molecular Weight228.18 g/mol
Exact Mass228.08
IUPAC Name2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(CC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H12F4O2/c10-8(7(14)15,9(11,12)13)5-6-3-1-2-4-6/h6H,1-5H2,(H,14,15)
InChIKeyUAGIALMDDYOPPG-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115044604
2-(cyclopentylmethyl)-2-methylbutanoic acid
CID 62740428
(3,3,3-trifluoro-2,2-dimethylpropyl)cyclopentane
CID 118360308
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
3-cyclopentyl-2-methyl-2-propanoyloxypropanoic acid
CID 175312642
2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol
CID 115027287
carbamic acid;2,2,2-tribromoethylcyclohexane
CID 70540306
3-cycloheptyl-2,2-difluoropropan-1-ol
CID 105446100
2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one
CID 135075009
2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115043071
cyclopentanol;2,2,2-trifluoroacetic acid
CID 175723828
4-(cyclohexylmethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 59030191

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid?
The IUPAC name of 2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid (CID 115036499) is 2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid.
What is the SMILES notation for 2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid?
The canonical SMILES for 2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid is O=C(O)C(F)(CC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid?
The InChIKey is UAGIALMDDYOPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4O2/c10-8(7(14)15,9(11,12)13)5-6-3-1-2-4-6/h6H,1-5H2,(H,14,15).
What are the key properties of 2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid?
2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid has a molecular weight of 228.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid is sourced from PubChem (CID 115036499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).