(2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide

C6H11F3N2O — CID 166839433

IUPAC(2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCC(C)([C@H](N)C(N)=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-5(2,6(7,8)9)3(10)4(11)12/h3H,10H2,1-2H3,(H2,11,12)/t3-/m1/s1
InChIKeyZEOYSYRWSIYRCH-GSVOUGTGSA-N
MW184.16 g/mol
LogP0.39
Rot. Bonds2

About (2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide

(2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide (PubChem CID 166839433) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is (2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide
PubChem CID166839433
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name(2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCC(C)([C@H](N)C(N)=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-5(2,6(7,8)9)3(10)4(11)12/h3H,10H2,1-2H3,(H2,11,12)/t3-/m1/s1
InChIKeyZEOYSYRWSIYRCH-GSVOUGTGSA-N
XLogP0.39
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diamino-3-methylbutanamide
CID 163442937
(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride
CID 86659431
methyl (2R)-2-amino-3-fluoro-3-methylbutanoate
CID 91978307
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
2-amino-3-methoxy-3-methylpentanamide
CID 131230246
2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide
CID 76893601
3-amino-2-(trifluoromethyl)butanamide;hydrochloride
CID 174921174
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
2,2-bis(trifluoromethylsulfonyl)acetamide
CID 139995086
2,3,3,4,4-pentamethylpentanamide
CID 123826668
2,3,3-trifluoro-2-methylpropanamide
CID 139700951
2-amino-5,5-difluoro-4,4-dimethylpentanamide
CID 129050773

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide (CID 166839433) is (2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide is CC(C)([C@H](N)C(N)=O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide?
The InChIKey is ZEOYSYRWSIYRCH-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-5(2,6(7,8)9)3(10)4(11)12/h3H,10H2,1-2H3,(H2,11,12)/t3-/m1/s1.
What are the key properties of (2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide?
(2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide has a molecular weight of 184.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide is sourced from PubChem (CID 166839433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).