3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide

C7H10F3NO — CID 169160558

IUPAC3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-11-6(12)5(2)7(8,9)10/h3,5H,1,4H2,2H3,(H,11,12)
InChIKeyLJJLHDFLLBRLED-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.49
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide

3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide (PubChem CID 169160558) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide
PubChem CID169160558
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-11-6(12)5(2)7(8,9)10/h3,5H,1,4H2,2H3,(H,11,12)
InChIKeyLJJLHDFLLBRLED-UHFFFAOYSA-N
XLogP1.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Heptafluorobutyramide, N-allyl
CID 534980
N-Allyl-2,2,2-trifluoroacetamide
CID 558569
N-(But-3-enyl)-2,2,2-trifluoroacetamide
CID 53404779
Pivalamide, N-allyl-
CID 4172620
N-prop-2-enylpropanamide
CID 5053902
2-methyl-N-prop-2-enylpropanamide
CID 4070749
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide
CID 18970244
N-(3,3,3-Trifluoropropyl)acrylamide
CID 19792309
N-(3,3-Difluorobutyl)acrylamide
CID 19792312
2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide
CID 21042362
3,3,3-trifluoro-N-prop-2-enylpropanamide
CID 22975874

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide (CID 169160558) is 3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide?
The InChIKey is LJJLHDFLLBRLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-3-4-11-6(12)5(2)7(8,9)10/h3,5H,1,4H2,2H3,(H,11,12).
What are the key properties of 3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide?
3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 181.16 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 169160558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).