2,2-difluoro-N-prop-2-enylpropanamide

C6H9F2NO — CID 126975350

IUPAC2,2-difluoro-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(F)F
InChIInChI=1S/C6H9F2NO/c1-3-4-9-5(10)6(2,7)8/h3H,1,4H2,2H3,(H,9,10)
InChIKeyAYLQMCZQAOAXFQ-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.94
Rot. Bonds3

About 2,2-difluoro-N-prop-2-enylpropanamide

2,2-difluoro-N-prop-2-enylpropanamide (PubChem CID 126975350) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 2,2-difluoro-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2,2-difluoro-N-prop-2-enylpropanamide
PubChem CID126975350
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name2,2-difluoro-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(F)F
InChIInChI=1S/C6H9F2NO/c1-3-4-9-5(10)6(2,7)8/h3H,1,4H2,2H3,(H,9,10)
InChIKeyAYLQMCZQAOAXFQ-UHFFFAOYSA-N
XLogP0.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.94
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 2,2-difluoro-N-prop-2-enylpropanamide?
The IUPAC name of 2,2-difluoro-N-prop-2-enylpropanamide (CID 126975350) is 2,2-difluoro-N-prop-2-enylpropanamide.
What is the SMILES notation for 2,2-difluoro-N-prop-2-enylpropanamide?
The canonical SMILES for 2,2-difluoro-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-prop-2-enylpropanamide?
The InChIKey is AYLQMCZQAOAXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-3-4-9-5(10)6(2,7)8/h3H,1,4H2,2H3,(H,9,10).
What are the key properties of 2,2-difluoro-N-prop-2-enylpropanamide?
2,2-difluoro-N-prop-2-enylpropanamide has a molecular weight of 149.14 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-prop-2-enylpropanamide is sourced from PubChem (CID 126975350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).