2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide

C6H7F4NO — CID 89074741

IUPAC2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(F)C(F)(F)F
InChIInChI=1S/C6H7F4NO/c1-2-3-11-5(12)4(7)6(8,9)10/h2,4H,1,3H2,(H,11,12)
InChIKeyQBANWFSMGVQTOC-UHFFFAOYSA-N
MW185.12 g/mol
LogP1.19
Rot. Bonds3

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

2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide (PubChem CID 89074741) has the molecular formula C6H7F4NO and a molecular weight of 185.12 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide
PubChem CID89074741
Molecular FormulaC6H7F4NO
Molecular Weight185.12 g/mol
Exact Mass185.05
IUPAC Name2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(F)C(F)(F)F
InChIInChI=1S/C6H7F4NO/c1-2-3-11-5(12)4(7)6(8,9)10/h2,4H,1,3H2,(H,11,12)
InChIKeyQBANWFSMGVQTOC-UHFFFAOYSA-N
XLogP1.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.12
LogP ≤ 51.19
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 2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide (CID 89074741) is 2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide is C=CCNC(=O)C(F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide?
The InChIKey is QBANWFSMGVQTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4NO/c1-2-3-11-5(12)4(7)6(8,9)10/h2,4H,1,3H2,(H,11,12).
What are the key properties of 2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide?
2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide has a molecular weight of 185.12 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide is sourced from PubChem (CID 89074741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).