2-(fluoromethyl)-3-phenylprop-2-enamide

C10H10FNO — CID 151130923

IUPAC2-(fluoromethyl)-3-phenylprop-2-enamide
SMILESNC(=O)C(=Cc1ccccc1)CF
InChIInChI=1S/C10H10FNO/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,13)
InChIKeyMUEPFUBIQSBIHX-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.52
Rot. Bonds3

About 2-(fluoromethyl)-3-phenylprop-2-enamide

2-(fluoromethyl)-3-phenylprop-2-enamide (PubChem CID 151130923) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-(fluoromethyl)-3-phenylprop-2-enamide
PubChem CID151130923
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-(fluoromethyl)-3-phenylprop-2-enamide
SMILESNC(=O)C(=Cc1ccccc1)CF
InChIInChI=1S/C10H10FNO/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,13)
InChIKeyMUEPFUBIQSBIHX-UHFFFAOYSA-N
XLogP1.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.52
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

2-benzylidenebutanediamide
CID 141083330
2-benzylideneicosanamide
CID 167436455
2-amino-3-phenylprop-2-enamide
CID 70617640
2-benzylidene-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanamide
CID 67388361
3-fluoro-1-phenylprop-1-en-2-ol
CID 172850528
(E)-2-chloro-3-phenylprop-2-enamide
CID 909679
2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
CID 66616036
(E)-3-(hydroxymethyl)-2-oxo-4-phenylbut-3-enoic acid
CID 138679673
2-(bromomethyl)-3-phenylprop-2-enoic acid
CID 4155481
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
3-phenyl-2-(sulfonylmethyl)prop-2-enamide
CID 87661438
(Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide
CID 71195629

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-phenylprop-2-enamide?
The IUPAC name of 2-(fluoromethyl)-3-phenylprop-2-enamide (CID 151130923) is 2-(fluoromethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for 2-(fluoromethyl)-3-phenylprop-2-enamide?
The canonical SMILES for 2-(fluoromethyl)-3-phenylprop-2-enamide is NC(=O)C(=Cc1ccccc1)CF.
What is the InChIKey of 2-(fluoromethyl)-3-phenylprop-2-enamide?
The InChIKey is MUEPFUBIQSBIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,13).
What are the key properties of 2-(fluoromethyl)-3-phenylprop-2-enamide?
2-(fluoromethyl)-3-phenylprop-2-enamide has a molecular weight of 179.19 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 151130923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).