2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid

C8H14F3NO2 — CID 107887883

IUPAC2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid
SMILESCCCC(C)C(N)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-4-5(2)7(12,6(13)14)8(9,10)11/h5H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyNNNWIQWVUAOWHP-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid

2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid (PubChem CID 107887883) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid.

Molecular Properties

Compound Name2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid
PubChem CID107887883
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid
SMILESCCCC(C)C(N)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-4-5(2)7(12,6(13)14)8(9,10)11/h5H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyNNNWIQWVUAOWHP-UHFFFAOYSA-N
XLogP1.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-4-methylheptan-3-yl)carbamic acid
CID 87603928
2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid
CID 79303936
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165
2-butan-2-yl-2-fluoro-3-methylhexanamide
CID 54304177
ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate
CID 10846253
2-ethoxycarbonyl-2,3-dimethylhexanoic acid
CID 107889825
2,3-dimethylhexan-2-amine;hexanoic acid
CID 173175162
2-tert-butylperoxy-2-methylpropane;2,2,3-trimethylhexanoic acid
CID 146295425
butane;2,2,3,3,4,4,4-heptafluorobutanoic acid
CID 173358412
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
3-ethyl-2,2-difluorohexanoic acid
CID 53443924

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid?
The IUPAC name of 2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid (CID 107887883) is 2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid.
What is the SMILES notation for 2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid?
The canonical SMILES for 2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid is CCCC(C)C(N)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid?
The InChIKey is NNNWIQWVUAOWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-4-5(2)7(12,6(13)14)8(9,10)11/h5H,3-4,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid?
2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid has a molecular weight of 213.20 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid is sourced from PubChem (CID 107887883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).