2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid

C10H14F3NO3 — CID 103978759

IUPAC2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)4-5-14-8(15)6-2-1-3-7(6)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)
InChIKeyBFEDWBAAQPCASS-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.56
Rot. Bonds4

About 2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid

2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103978759) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103978759
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)4-5-14-8(15)6-2-1-3-7(6)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)
InChIKeyBFEDWBAAQPCASS-UHFFFAOYSA-N
XLogP1.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cis-2-(2-Mercapto-ethylcarbamoyl)-cyclopentanecarboxylic acid
CID 44375301
3-(Trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 14788220
2-(3,3-Difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 172686941
(1R,3S)-3-(trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 14788221
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
3-(3,3,3-Trifluoropropanoylamino)cyclohexane-1-carboxylic acid
CID 63042725
1-[2-Oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 63225906
2-(3,3,3-Trifluoropropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63226615
4-[2-(3,3,3-Trifluoropropanoylamino)ethyl]heptanoic acid
CID 64342612
4-[2-[(2,2,2-Trifluoroacetyl)amino]ethyl]heptanoic acid
CID 64343418
4-[2-(4,4,4-Trifluorobutanoylamino)ethyl]heptanoic acid
CID 65710093

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103978759) is 2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is BFEDWBAAQPCASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)4-5-14-8(15)6-2-1-3-7(6)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).