4,4,4-trifluorobut-2-enamide

C4H4F3NO — CID 2777104

IUPAC4,4,4-trifluorobut-2-enamide
SMILESNC(=O)C=CC(F)(F)F
InChIInChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(8)9/h1-2H,(H2,8,9)
InChIKeyUUJWVXVMQOGZID-UHFFFAOYSA-N
MW139.08 g/mol
LogP0.59
Rot. Bonds1

About 4,4,4-trifluorobut-2-enamide

4,4,4-trifluorobut-2-enamide (PubChem CID 2777104) has the molecular formula C4H4F3NO and a molecular weight of 139.08 g/mol. Its IUPAC name is 4,4,4-trifluorobut-2-enamide.

Molecular Properties

Compound Name4,4,4-trifluorobut-2-enamide
PubChem CID2777104
Molecular FormulaC4H4F3NO
Molecular Weight139.08 g/mol
Exact Mass139.02
IUPAC Name4,4,4-trifluorobut-2-enamide
SMILESNC(=O)C=CC(F)(F)F
InChIInChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(8)9/h1-2H,(H2,8,9)
InChIKeyUUJWVXVMQOGZID-UHFFFAOYSA-N
XLogP0.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 50.59
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

4,4,4-Trifluorocrotonamide
CID 5708781
e-Trifluorosorbamide
CID 129809424
2-Fluorobut-2-enamide
CID 140988978
(E)-4,4,5,5,6,6,6-heptafluorohex-2-enamide
CID 134900883
Prop-2-enamide;1,1,2,2-tetrafluoroethene
CID 88727039
(E)-3-fluoroprop-2-enamide
CID 19851284
1-Chloro-1,2,2-trifluoroethene;prop-2-enamide
CID 23450576
6,6,6-Trifluorohexa-2,4-dienamide
CID 54073864
3-Fluoroprop-2-enamide
CID 54114983
N-(trifluoromethyl)prop-2-enamide
CID 87555952
(Z)-2,4,4-trifluorobut-2-enamide
CID 88079517
4,4,5,6,6-Pentafluorohexa-2,5-dienamide
CID 88728990

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluorobut-2-enamide?
The IUPAC name of 4,4,4-trifluorobut-2-enamide (CID 2777104) is 4,4,4-trifluorobut-2-enamide.
What is the SMILES notation for 4,4,4-trifluorobut-2-enamide?
The canonical SMILES for 4,4,4-trifluorobut-2-enamide is NC(=O)C=CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluorobut-2-enamide?
The InChIKey is UUJWVXVMQOGZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(8)9/h1-2H,(H2,8,9).
What are the key properties of 4,4,4-trifluorobut-2-enamide?
4,4,4-trifluorobut-2-enamide has a molecular weight of 139.08 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluorobut-2-enamide is sourced from PubChem (CID 2777104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).