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

C11H16F3NO3 — CID 114390507

IUPAC4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)N(C)CC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c1-6-3-7(8(4-6)10(17)18)9(16)15(2)5-11(12,13)14/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyZLFPEWSKDQRHGR-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.75
Rot. Bonds3

About 4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114390507) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114390507
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)N(C)CC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c1-6-3-7(8(4-6)10(17)18)9(16)15(2)5-11(12,13)14/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyZLFPEWSKDQRHGR-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114390507) is 4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)N(C)CC(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZLFPEWSKDQRHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-6-3-7(8(4-6)10(17)18)9(16)15(2)5-11(12,13)14/h6-8H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).