2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid

C11H16F3NO3 — CID 103979069

IUPAC2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCCCC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)5-2-6-15-9(16)7-3-1-4-8(7)10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)
InChIKeyBKLFLEYUYROEGJ-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.95
Rot. Bonds5

About 2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid

2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103979069) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103979069
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCCCC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)5-2-6-15-9(16)7-3-1-4-8(7)10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)
InChIKeyBKLFLEYUYROEGJ-UHFFFAOYSA-N
XLogP1.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cis-2-(2-Mercapto-ethylcarbamoyl)-cyclopentanecarboxylic acid
CID 44375301
2-(Cyclopentylcarbamoyl)cyclohexanecarboxylic acid
CID 2933637
2-(3,3-Difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 172686941
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396540
2-(2,2,2-Trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529727
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529730
1-[2-Oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 63225906
1-[2-Oxo-2-(3,3,3-trifluoropropylamino)ethyl]cycloheptane-1-carboxylic acid
CID 63225951
1-[2-Oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclohexane-1-carboxylic acid
CID 63225996
2-(3,3,3-Trifluoropropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63226615
4-[2-(3,3,3-Trifluoropropanoylamino)ethyl]heptanoic acid
CID 64342612

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103979069) is 2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCCCC(F)(F)F.
What is the InChIKey of 2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is BKLFLEYUYROEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)5-2-6-15-9(16)7-3-1-4-8(7)10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).