(2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid

C7H11F3O3 — CID 139819668

IUPAC(2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
SMILESCC(C)C[C@](O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H11F3O3/c1-4(2)3-6(13,5(11)12)7(8,9)10/h4,13H,3H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyXCCVDTCEBQGRLF-LURJTMIESA-N
MW200.16 g/mol
LogP1.41
Rot. Bonds3

About (2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid

(2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid (PubChem CID 139819668) has the molecular formula C7H11F3O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
PubChem CID139819668
Molecular FormulaC7H11F3O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC Name(2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
SMILESCC(C)C[C@](O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H11F3O3/c1-4(2)3-6(13,5(11)12)7(8,9)10/h4,13H,3H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyXCCVDTCEBQGRLF-LURJTMIESA-N
XLogP1.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 83831473
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
(2S)-2-hydroxy-2-(trifluoromethyl)heptanoic acid
CID 139819662
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051
methyl 4-methyl-2-propan-2-yl-2-(trifluoromethyl)pentanoate
CID 90268343
2-methyl-3,3-bis(2-methylpropyl)-2-(1,1,1-trifluoropropan-2-yl)butanedioic acid
CID 118610891
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 83915194
4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid
CID 114868050
3-hydroxy-2,3,5-trimethylhexanoic acid
CID 62399218
4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid
CID 157318706
2-(aminomethyl)-2-(2,2-difluoroethyl)-4-methylpentanoic acid
CID 106488966

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid (CID 139819668) is (2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid is CC(C)C[C@](O)(C(=O)O)C(F)(F)F.
What is the InChIKey of (2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid?
The InChIKey is XCCVDTCEBQGRLF-LURJTMIESA-N. The full InChI is InChI=1S/C7H11F3O3/c1-4(2)3-6(13,5(11)12)7(8,9)10/h4,13H,3H2,1-2H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid?
(2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid has a molecular weight of 200.16 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 139819668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).