2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid

C12H18F3NO3 — CID 103979068

IUPAC2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)6-1-2-7-16-10(17)8-4-3-5-9(8)11(18)19/h8-9H,1-7H2,(H,16,17)(H,18,19)
InChIKeyBAHKNZJIOIRNSP-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.34
Rot. Bonds6

About 2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid

2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103979068) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103979068
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)6-1-2-7-16-10(17)8-4-3-5-9(8)11(18)19/h8-9H,1-7H2,(H,16,17)(H,18,19)
InChIKeyBAHKNZJIOIRNSP-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.34
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-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103979068) is 2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCCCCC(F)(F)F.
What is the InChIKey of 2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is BAHKNZJIOIRNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c13-12(14,15)6-1-2-7-16-10(17)8-4-3-5-9(8)11(18)19/h8-9H,1-7H2,(H,16,17)(H,18,19).
What are the key properties of 2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).