4,4,4-trifluoro-2-methylidenebutanamide

C5H6F3NO — CID 87278714

IUPAC4,4,4-trifluoro-2-methylidenebutanamide
SMILESC=C(CC(F)(F)F)C(N)=O
InChIInChI=1S/C5H6F3NO/c1-3(4(9)10)2-5(6,7)8/h1-2H2,(H2,9,10)
InChIKeyPUOBCRKNFDRKIK-UHFFFAOYSA-N
MW153.10 g/mol
LogP0.98
Rot. Bonds2

About 4,4,4-trifluoro-2-methylidenebutanamide

4,4,4-trifluoro-2-methylidenebutanamide (PubChem CID 87278714) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methylidenebutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methylidenebutanamide
PubChem CID87278714
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name4,4,4-trifluoro-2-methylidenebutanamide
SMILESC=C(CC(F)(F)F)C(N)=O
InChIInChI=1S/C5H6F3NO/c1-3(4(9)10)2-5(6,7)8/h1-2H2,(H2,9,10)
InChIKeyPUOBCRKNFDRKIK-UHFFFAOYSA-N
XLogP0.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(Trifluoromethyl)prop-2-enamide
CID 55291292
2,2-Difluoroethylacrylamide
CID 129218040
3,3,4,4,4-Pentafluoro-2-methylidenebutanamide
CID 87269833
3,3,4,4,5,5,5-Heptafluoro-2-methylidenepentanamide
CID 87270154
3-Fluoro-2-methylidenepent-4-enamide
CID 87881753
2-(Difluoromethylidene)pent-4-enamide
CID 88728991
(2Z)-2-(fluoromethylidene)butanamide
CID 89339098
(2E)-2-(fluoromethylidene)butanamide
CID 90023210
2,2-Difluoro-3-methylbut-3-enamide
CID 91451930
2-(Fluoromethylidene)butanamide
CID 140678663
4,4,4-Trifluoro-2-methylidene-3-(trifluoromethyl)butanamide
CID 156812522
3-(Trifluoromethyl)but-3-enamide
CID 170197438

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methylidenebutanamide?
The IUPAC name of 4,4,4-trifluoro-2-methylidenebutanamide (CID 87278714) is 4,4,4-trifluoro-2-methylidenebutanamide.
What is the SMILES notation for 4,4,4-trifluoro-2-methylidenebutanamide?
The canonical SMILES for 4,4,4-trifluoro-2-methylidenebutanamide is C=C(CC(F)(F)F)C(N)=O.
What is the InChIKey of 4,4,4-trifluoro-2-methylidenebutanamide?
The InChIKey is PUOBCRKNFDRKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-3(4(9)10)2-5(6,7)8/h1-2H2,(H2,9,10).
What are the key properties of 4,4,4-trifluoro-2-methylidenebutanamide?
4,4,4-trifluoro-2-methylidenebutanamide has a molecular weight of 153.10 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methylidenebutanamide is sourced from PubChem (CID 87278714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).