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

C10H14F3NO3 — CID 103550042

IUPAC3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C10H14F3NO3/c1-14(5-10(11,12)13)8(15)6-2-3-7(4-6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyWHRXFALLCSFQNT-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.51
Rot. Bonds3

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

3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550042) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550042
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C10H14F3NO3/c1-14(5-10(11,12)13)8(15)6-2-3-7(4-6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyWHRXFALLCSFQNT-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550042) is 3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is CN(CC(F)(F)F)C(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is WHRXFALLCSFQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-14(5-10(11,12)13)8(15)6-2-3-7(4-6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).