3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide

C6H11F3N2O — CID 58772889

IUPAC3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(N)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-11(2)5(12)3-4(10)6(7,8)9/h4H,3,10H2,1-2H3
InChIKeyYYOUFFYPJMPWJC-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.35
Rot. Bonds2

About 3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide

3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide (PubChem CID 58772889) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide
PubChem CID58772889
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(N)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-11(2)5(12)3-4(10)6(7,8)9/h4H,3,10H2,1-2H3
InChIKeyYYOUFFYPJMPWJC-UHFFFAOYSA-N
XLogP0.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-3-hydroxy-N,N,4,4-tetramethylpentanamide
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3,3-difluoro-N,N-dimethylbutanamide
CID 130667654
[2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
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CID 100646080
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide
CID 60947251
3,4-dihydroxy-N,N-dimethylbutanamide
CID 21025486
3-amino-N,N-dimethyl-3-phenylpropanamide
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(3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide
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CID 95241054

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide?
The IUPAC name of 3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide (CID 58772889) is 3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide.
What is the SMILES notation for 3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide?
The canonical SMILES for 3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide is CN(C)C(=O)CC(N)C(F)(F)F.
What is the InChIKey of 3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide?
The InChIKey is YYOUFFYPJMPWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-11(2)5(12)3-4(10)6(7,8)9/h4H,3,10H2,1-2H3.
What are the key properties of 3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide?
3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide has a molecular weight of 184.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,4-trifluoro-N,N-dimethylbutanamide is sourced from PubChem (CID 58772889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).