3-amino-4,4,4-trifluoro-3-methylbutanamide

C5H9F3N2O — CID 83682793

IUPAC3-amino-4,4,4-trifluoro-3-methylbutanamide
SMILESCC(N)(CC(N)=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-4(10,2-3(9)11)5(6,7)8/h2,10H2,1H3,(H2,9,11)
InChIKeySNWKDHJSFLWCQM-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.14
Rot. Bonds2

About 3-amino-4,4,4-trifluoro-3-methylbutanamide

3-amino-4,4,4-trifluoro-3-methylbutanamide (PubChem CID 83682793) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is 3-amino-4,4,4-trifluoro-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-4,4,4-trifluoro-3-methylbutanamide
PubChem CID83682793
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name3-amino-4,4,4-trifluoro-3-methylbutanamide
SMILESCC(N)(CC(N)=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-4(10,2-3(9)11)5(6,7)8/h2,10H2,1H3,(H2,9,11)
InChIKeySNWKDHJSFLWCQM-UHFFFAOYSA-N
XLogP0.14
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-3-methylbutanamide hydrochloride
CID 75421022
3-Amino-3-methylbutanamide
CID 15405193
3-Amino-3-(fluoromethyl)pentanamide
CID 57259975
2-Amino-4,4,4-trifluoro-2-methylbutanamide
CID 84073618
2-(1,1,1-Trifluoropropan-2-yl)propanediamide
CID 141227648
(2R)-2-amino-4,4,4-trifluoro-2-methylbutanamide
CID 143103242
2-Amino-2-(trifluoromethyl)butanamide
CID 9815336
3-amino-3-methyl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81501616
3-Amino-3-(trifluoromethyl)pentanamide
CID 83684136
4,4,4-Trifluoro-3-methyl-3-(methylamino)butanamide
CID 84074748
3-Methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 104583861
3-[(2,2-Difluoroacetyl)amino]-3-methylbutanamide
CID 107168222

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,4-trifluoro-3-methylbutanamide?
The IUPAC name of 3-amino-4,4,4-trifluoro-3-methylbutanamide (CID 83682793) is 3-amino-4,4,4-trifluoro-3-methylbutanamide.
What is the SMILES notation for 3-amino-4,4,4-trifluoro-3-methylbutanamide?
The canonical SMILES for 3-amino-4,4,4-trifluoro-3-methylbutanamide is CC(N)(CC(N)=O)C(F)(F)F.
What is the InChIKey of 3-amino-4,4,4-trifluoro-3-methylbutanamide?
The InChIKey is SNWKDHJSFLWCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c1-4(10,2-3(9)11)5(6,7)8/h2,10H2,1H3,(H2,9,11).
What are the key properties of 3-amino-4,4,4-trifluoro-3-methylbutanamide?
3-amino-4,4,4-trifluoro-3-methylbutanamide has a molecular weight of 170.13 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,4-trifluoro-3-methylbutanamide is sourced from PubChem (CID 83682793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).