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

C13H20F3NO3 — CID 114390685

IUPAC4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)N(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C13H20F3NO3/c1-7(2)17(6-13(14,15)16)11(18)9-4-8(3)5-10(9)12(19)20/h7-10H,4-6H2,1-3H3,(H,19,20)
InChIKeyJISOKTFCKFRGDS-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.53
Rot. Bonds4

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

4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114390685) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114390685
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Name4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)N(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C13H20F3NO3/c1-7(2)17(6-13(14,15)16)11(18)9-4-8(3)5-10(9)12(19)20/h7-10H,4-6H2,1-3H3,(H,19,20)
InChIKeyJISOKTFCKFRGDS-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114390685) is 4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)N(CC(F)(F)F)C(C)C)C1.
What is the InChIKey of 4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is JISOKTFCKFRGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c1-7(2)17(6-13(14,15)16)11(18)9-4-8(3)5-10(9)12(19)20/h7-10H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).