2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid

C11H16F3NO3 — CID 103978888

IUPAC2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CCC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C11H16F3NO3/c1-15(6-5-11(12,13)14)9(16)7-3-2-4-8(7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyPXOPTPRLMPEDJN-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.90
Rot. Bonds4

About 2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978888) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978888
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CCC(F)(F)F)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C11H16F3NO3/c1-15(6-5-11(12,13)14)9(16)7-3-2-4-8(7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyPXOPTPRLMPEDJN-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978359
2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976777
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978815
2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977737
cis-(1S,2R)-2-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092193
2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978797
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978420
cis-(1S,2R)-2-[3-methoxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 94912240
2-[2-ethoxyethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81059586
trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 10037452
2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978319
2-[cyclohexyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977670

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978888) is 2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid is CN(CCC(F)(F)F)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is PXOPTPRLMPEDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-15(6-5-11(12,13)14)9(16)7-3-2-4-8(7)10(17)18/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).