3-amino-5,5,5-trifluoro-2-oxopentanamide

C5H7F3N2O2 — CID 151532449

IUPAC3-amino-5,5,5-trifluoro-2-oxopentanamide
SMILESNC(=O)C(=O)C(N)CC(F)(F)F
InChIInChI=1S/C5H7F3N2O2/c6-5(7,8)1-2(9)3(11)4(10)12/h2H,1,9H2,(H2,10,12)
InChIKeyPWTNOYGWEHQABX-UHFFFAOYSA-N
MW184.12 g/mol
LogP-0.68
Rot. Bonds3

About 3-amino-5,5,5-trifluoro-2-oxopentanamide

3-amino-5,5,5-trifluoro-2-oxopentanamide (PubChem CID 151532449) has the molecular formula C5H7F3N2O2 and a molecular weight of 184.12 g/mol. Its IUPAC name is 3-amino-5,5,5-trifluoro-2-oxopentanamide.

Molecular Properties

Compound Name3-amino-5,5,5-trifluoro-2-oxopentanamide
PubChem CID151532449
Molecular FormulaC5H7F3N2O2
Molecular Weight184.12 g/mol
Exact Mass184.05
IUPAC Name3-amino-5,5,5-trifluoro-2-oxopentanamide
SMILESNC(=O)C(=O)C(N)CC(F)(F)F
InChIInChI=1S/C5H7F3N2O2/c6-5(7,8)1-2(9)3(11)4(10)12/h2H,1,9H2,(H2,10,12)
InChIKeyPWTNOYGWEHQABX-UHFFFAOYSA-N
XLogP-0.68
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-bromo-5,5,5-trifluoropentan-2-one
CID 167735862
2-amino-3-(2,2,2-trifluoroethylsulfanyl)propanamide;hydrochloride
CID 130236337
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
CID 44717559
(2S)-2-amino-4-(2,2,2-trifluoroethyl)pentanedioic acid
CID 140641389
(2R)-2-aminobutanamide;2,2,2-trifluoroacetic acid
CID 134211723
(1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)carbamic acid
CID 123990881
(2S)-2-amino-5,5,5-trifluoropentanoate
CID 152782221
2-amino-3-(6,6,6-trifluorohexylsulfanyl)propanoic acid
CID 123605968
2,4,4,4-tetrafluorobutanoic acid
CID 24794893
2-amino-5,5-difluoro-4,4-dimethylpentanamide
CID 129050773
4,4,4-trifluoro-2-iodobutanoic acid
CID 19436674
(2R)-4,4,4-trifluoro-2-sulfanylbutanoic acid
CID 11435220

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5,5-trifluoro-2-oxopentanamide?
The IUPAC name of 3-amino-5,5,5-trifluoro-2-oxopentanamide (CID 151532449) is 3-amino-5,5,5-trifluoro-2-oxopentanamide.
What is the SMILES notation for 3-amino-5,5,5-trifluoro-2-oxopentanamide?
The canonical SMILES for 3-amino-5,5,5-trifluoro-2-oxopentanamide is NC(=O)C(=O)C(N)CC(F)(F)F.
What is the InChIKey of 3-amino-5,5,5-trifluoro-2-oxopentanamide?
The InChIKey is PWTNOYGWEHQABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O2/c6-5(7,8)1-2(9)3(11)4(10)12/h2H,1,9H2,(H2,10,12).
What are the key properties of 3-amino-5,5,5-trifluoro-2-oxopentanamide?
3-amino-5,5,5-trifluoro-2-oxopentanamide has a molecular weight of 184.12 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5,5-trifluoro-2-oxopentanamide is sourced from PubChem (CID 151532449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).