N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide

C6H11F3N2O — CID 63193771

IUPACN-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)(CN)NC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-5(2,3-10)11-4(12)6(7,8)9/h3,10H2,1-2H3,(H,11,12)
InChIKeyAQPRUYGOMJMTAE-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.40
Rot. Bonds2

About N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide

N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 63193771) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
PubChem CID63193771
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)(CN)NC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-5(2,3-10)11-4(12)6(7,8)9/h3,10H2,1-2H3,(H,11,12)
InChIKeyAQPRUYGOMJMTAE-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide
CID 63889752
4-methyl-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 62043301
2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid chloride
CID 86602100
ethyl N-(1-amino-2-methylpropan-2-yl)carbamate
CID 63194135
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide
CID 106096112
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide
CID 114383402
N-(1-amino-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide
CID 82508951
2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide
CID 163696706
N-(1-amino-2-methylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119523391
2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 130612693
N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 130650761

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide (CID 63193771) is N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide is CC(C)(CN)NC(=O)C(F)(F)F.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is AQPRUYGOMJMTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-5(2,3-10)11-4(12)6(7,8)9/h3,10H2,1-2H3,(H,11,12).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide?
N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 184.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 63193771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).