(3R)-4-methyl-3-(trifluoromethyl)pentanoic acid

C7H11F3O2 — CID 95022408

IUPAC(3R)-4-methyl-3-(trifluoromethyl)pentanoic acid
SMILESCC(C)[C@@H](CC(=O)O)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-4(2)5(3-6(11)12)7(8,9)10/h4-5H,3H2,1-2H3,(H,11,12)/t5-/m1/s1
InChIKeyAXEFVYXVYULCFE-RXMQYKEDSA-N
MW184.16 g/mol
LogP2.30
Rot. Bonds3

About (3R)-4-methyl-3-(trifluoromethyl)pentanoic acid

(3R)-4-methyl-3-(trifluoromethyl)pentanoic acid (PubChem CID 95022408) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is (3R)-4-methyl-3-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name(3R)-4-methyl-3-(trifluoromethyl)pentanoic acid
PubChem CID95022408
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name(3R)-4-methyl-3-(trifluoromethyl)pentanoic acid
SMILESCC(C)[C@@H](CC(=O)O)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-4(2)5(3-6(11)12)7(8,9)10/h4-5H,3H2,1-2H3,(H,11,12)/t5-/m1/s1
InChIKeyAXEFVYXVYULCFE-RXMQYKEDSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-methyl-3-(trifluoromethyl)pentanoate
CID 59459020
2,2-bis(2-methylpropyl)-3-propan-2-ylpentanedioic acid
CID 87921262
4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
CID 2782190
(2R)-3-methyl-2-(trifluoromethyl)butan-1-ol
CID 88612576
3,4,4,4-tetrafluorobutanoic acid
CID 83856312
3-[(dimethylamino)methyl]-4,4,4-trifluorobutanoic acid;hydrochloride
CID 154577305
3-(trifluoromethoxy)butanoic acid
CID 87118364
(3R)-3-(trifluoromethoxy)butanoic acid
CID 107876657
3-methylbutanoic acid
CID 20849036
(3R,4S,5S)-5-amino-4-phenylmethoxy-3-(trifluoromethyl)hexanoic acid
CID 125426933
(3R)-4-methyl-3-(trifluoromethyl)pent-4-enoic acid
CID 139414896
4,4,4-trifluoro-3-(methoxymethyl)butanoic acid
CID 82405962

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-3-(trifluoromethyl)pentanoic acid?
The IUPAC name of (3R)-4-methyl-3-(trifluoromethyl)pentanoic acid (CID 95022408) is (3R)-4-methyl-3-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for (3R)-4-methyl-3-(trifluoromethyl)pentanoic acid?
The canonical SMILES for (3R)-4-methyl-3-(trifluoromethyl)pentanoic acid is CC(C)[C@@H](CC(=O)O)C(F)(F)F.
What is the InChIKey of (3R)-4-methyl-3-(trifluoromethyl)pentanoic acid?
The InChIKey is AXEFVYXVYULCFE-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-4(2)5(3-6(11)12)7(8,9)10/h4-5H,3H2,1-2H3,(H,11,12)/t5-/m1/s1.
What are the key properties of (3R)-4-methyl-3-(trifluoromethyl)pentanoic acid?
(3R)-4-methyl-3-(trifluoromethyl)pentanoic acid has a molecular weight of 184.16 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-3-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 95022408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).