(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid

C8H13F3O2 — CID 129371887

IUPAC(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
SMILESCC(C)C[C@H](CC(F)(F)F)C(=O)O
InChIInChI=1S/C8H13F3O2/c1-5(2)3-6(7(12)13)4-8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyUHVKVVCRCCSRIB-ZCFIWIBFSA-N
MW198.18 g/mol
LogP2.69
Rot. Bonds4

About (2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid

(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid (PubChem CID 129371887) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is (2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
PubChem CID129371887
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
SMILESCC(C)C[C@H](CC(F)(F)F)C(=O)O
InChIInChI=1S/C8H13F3O2/c1-5(2)3-6(7(12)13)4-8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyUHVKVVCRCCSRIB-ZCFIWIBFSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-(2,2,2-trifluoroethyl)pentanedioic acid
CID 140641389
(2R)-2-(fluoromethyl)-4-methylpentanoic acid
CID 129304901
alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
2-[(4,4-dimethylpentan-2-ylamino)methyl]-4-methylpentanoic acid
CID 122128173
5-amino-5-methyl-2-(2-methylpropyl)hexanoic acid
CID 147314625
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
(2S)-4-methyl-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pentanoic acid
CID 124634079
4-methyl-2-(2-methylpropoxymethyl)pentanoic acid
CID 23168896
4-methyl-2-(phosphonomethyl)pentanoic acid
CID 151960225
4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid
CID 120688025
2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
CID 174839184

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid (CID 129371887) is (2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid is CC(C)C[C@H](CC(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid?
The InChIKey is UHVKVVCRCCSRIB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-5(2)3-6(7(12)13)4-8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid?
(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid has a molecular weight of 198.18 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid is sourced from PubChem (CID 129371887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).