2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide

C7H13F3N2O — CID 24694869

IUPAC2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)C(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-4(2)5(11)6(13)12-3-7(8,9)10/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKeyTZXNBUGETSLVSM-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.65
Rot. Bonds3

About 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide

2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 24694869) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID24694869
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)C(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-4(2)5(11)6(13)12-3-7(8,9)10/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKeyTZXNBUGETSLVSM-UHFFFAOYSA-N
XLogP0.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
N,N'-(Propane-1,2-diyl)bis(2,2,3,3,4,4,4-heptafluorobutanamide)
CID 4147050
(2S)-2-amino-N,3-dimethylbutanamide hydrochloride
CID 20598795
2-amino-N-(2,2,2-trifluoroethyl)propanamide hydrochloride
CID 45791817
N-Acetyl L-valinamide
CID 142227
N-Methyl-L-valinamide
CID 11423608
N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide
CID 87159632
Ac-val-nh2
CID 7021426
2-amino-N,3-dimethylbutanamide
CID 13491007
2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
CID 79789707
3,3-dimethyl-N-propyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907243
N-(t-butyl)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907255

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 24694869) is 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)C(N)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is TZXNBUGETSLVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-4(2)5(11)6(13)12-3-7(8,9)10/h4-5H,3,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 198.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 24694869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).