2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H22F3NO3 — CID 103978392

IUPAC2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H22F3NO3/c1-3-9(4-2)18(8-14(15,16)17)12(19)10-6-5-7-11(10)13(20)21/h9-11H,3-8H2,1-2H3,(H,20,21)
InChIKeyFKCHFFDTXFOJNL-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.07
Rot. Bonds6

About 2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978392) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978392
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H22F3NO3/c1-3-9(4-2)18(8-14(15,16)17)12(19)10-6-5-7-11(10)13(20)21/h9-11H,3-8H2,1-2H3,(H,20,21)
InChIKeyFKCHFFDTXFOJNL-UHFFFAOYSA-N
XLogP3.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cis-2-(Carboxymethyl-ethyl-carbamoyl)-cyclopentanecarboxylic acid
CID 44375345
2-[Di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 3791717
2-(3,3-Difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 172686941
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55010975
2-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55011705
1-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid
CID 60662817
2-[Methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60891372
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60891931
1-[2-[Butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403
1-[2-Oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 60948682
2-[Propyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60949295
2-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60949312

Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978392) is 2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is CCC(CC)N(CC(F)(F)F)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FKCHFFDTXFOJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-3-9(4-2)18(8-14(15,16)17)12(19)10-6-5-7-11(10)13(20)21/h9-11H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).