4,4-difluoro-2-methylidene-4-phenylbutanamide

C11H11F2NO — CID 166772619

IUPAC4,4-difluoro-2-methylidene-4-phenylbutanamide
SMILESC=C(CC(F)(F)c1ccccc1)C(N)=O
InChIInChI=1S/C11H11F2NO/c1-8(10(14)15)7-11(12,13)9-5-3-2-4-6-9/h2-6H,1,7H2,(H2,14,15)
InChIKeyGJKPGDDVCUOWPN-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.21
Rot. Bonds4

About 4,4-difluoro-2-methylidene-4-phenylbutanamide

4,4-difluoro-2-methylidene-4-phenylbutanamide (PubChem CID 166772619) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 4,4-difluoro-2-methylidene-4-phenylbutanamide.

Molecular Properties

Compound Name4,4-difluoro-2-methylidene-4-phenylbutanamide
PubChem CID166772619
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name4,4-difluoro-2-methylidene-4-phenylbutanamide
SMILESC=C(CC(F)(F)c1ccccc1)C(N)=O
InChIInChI=1S/C11H11F2NO/c1-8(10(14)15)7-11(12,13)9-5-3-2-4-6-9/h2-6H,1,7H2,(H2,14,15)
InChIKeyGJKPGDDVCUOWPN-UHFFFAOYSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.21
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

(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid
CID 106702814
3-amino-3-fluoro-3-phenylpropanoic acid
CID 70119965
3,3-diphenylpentanediamide
CID 141227643
5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid
CID 70349078
2-hydroxy-2-phenylpropanamide;2-phenylprop-2-enamide;hydroxide
CID 161248375
methyl 2-amino-4,4-difluoro-4-phenylbutanoate
CID 66940111
2-oxo-3,3,3-triphenylpropanamide
CID 174934653
2-(2,2-difluoro-2-phenylethoxy)acetic acid
CID 61328007
6,6-difluoro-6-phenylhexan-3-one
CID 116789877
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896
3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
CID 84670441
3,4,4,4-tetrafluoro-3-phenylbutanoic acid
CID 84736567

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methylidene-4-phenylbutanamide?
The IUPAC name of 4,4-difluoro-2-methylidene-4-phenylbutanamide (CID 166772619) is 4,4-difluoro-2-methylidene-4-phenylbutanamide.
What is the SMILES notation for 4,4-difluoro-2-methylidene-4-phenylbutanamide?
The canonical SMILES for 4,4-difluoro-2-methylidene-4-phenylbutanamide is C=C(CC(F)(F)c1ccccc1)C(N)=O.
What is the InChIKey of 4,4-difluoro-2-methylidene-4-phenylbutanamide?
The InChIKey is GJKPGDDVCUOWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-8(10(14)15)7-11(12,13)9-5-3-2-4-6-9/h2-6H,1,7H2,(H2,14,15).
What are the key properties of 4,4-difluoro-2-methylidene-4-phenylbutanamide?
4,4-difluoro-2-methylidene-4-phenylbutanamide has a molecular weight of 211.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methylidene-4-phenylbutanamide is sourced from PubChem (CID 166772619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).