2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid

C9H12F3NO3 — CID 103977876

IUPAC2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)4-13-7(14)5-2-1-3-6(5)8(15)16/h5-6H,1-4H2,(H,13,14)(H,15,16)
InChIKeyYRBWRLNNTQVQCC-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.17
Rot. Bonds3

About 2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid

2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103977876) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103977876
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)4-13-7(14)5-2-1-3-6(5)8(15)16/h5-6H,1-4H2,(H,13,14)(H,15,16)
InChIKeyYRBWRLNNTQVQCC-UHFFFAOYSA-N
XLogP1.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
CID 97068565
2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103979063
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978794
2-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979066
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977753
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107846643
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739
cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092685
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 113361167
2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4193724

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103977876) is 2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is YRBWRLNNTQVQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c10-9(11,12)4-13-7(14)5-2-1-3-6(5)8(15)16/h5-6H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of 2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 239.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103977876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).