1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone

C11H11F2NO — CID 116589743

IUPAC1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO/c1-2-5-14-7-11(15)9-4-3-8(12)6-10(9)13/h2-4,6,14H,1,5,7H2
InChIKeyMDUIGXXIOSMVEU-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.92
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone

1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone (PubChem CID 116589743) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone
PubChem CID116589743
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO/c1-2-5-14-7-11(15)9-4-3-8(12)6-10(9)13/h2-4,6,14H,1,5,7H2
InChIKeyMDUIGXXIOSMVEU-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-2-(ethylamino)ethanone
CID 82282170
1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 15982679
1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 116589827
2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 51192153
1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 107129792
1-(2-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 116589872
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2,4-difluorobenzoate
CID 2630450
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)ethanone
CID 107291064
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one
CID 116606900
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
1-(2,5-dimethoxyphenyl)-2-(prop-2-enylamino)ethanone
CID 82102263

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone (CID 116589743) is 1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone?
The InChIKey is MDUIGXXIOSMVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-2-5-14-7-11(15)9-4-3-8(12)6-10(9)13/h2-4,6,14H,1,5,7H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone?
1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone has a molecular weight of 211.21 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 116589743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).