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

C6H8F3NO — CID 22975874

IUPAC3,3,3-trifluoro-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-3-10-5(11)4-6(7,8)9/h2H,1,3-4H2,(H,10,11)
InChIKeyNJAGMIZFCNSTKB-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.24
Rot. Bonds3

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

3,3,3-trifluoro-N-prop-2-enylpropanamide (PubChem CID 22975874) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-prop-2-enylpropanamide
PubChem CID22975874
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name3,3,3-trifluoro-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-3-10-5(11)4-6(7,8)9/h2H,1,3-4H2,(H,10,11)
InChIKeyNJAGMIZFCNSTKB-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-prop-2-enylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-prop-2-enylpropanamide (CID 22975874) is 3,3,3-trifluoro-N-prop-2-enylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-prop-2-enylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-prop-2-enylpropanamide is C=CCNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-prop-2-enylpropanamide?
The InChIKey is NJAGMIZFCNSTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-2-3-10-5(11)4-6(7,8)9/h2H,1,3-4H2,(H,10,11).
What are the key properties of 3,3,3-trifluoro-N-prop-2-enylpropanamide?
3,3,3-trifluoro-N-prop-2-enylpropanamide has a molecular weight of 167.13 g/mol, XLogP of 1.24, 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-N-prop-2-enylpropanamide is sourced from PubChem (CID 22975874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).