1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone

C11H12FNO — CID 15982679

IUPAC1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-2-7-13-8-11(14)9-3-5-10(12)6-4-9/h2-6,13H,1,7-8H2
InChIKeyIMFQCIUEEWOWBK-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.78
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone

1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone (PubChem CID 15982679) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
PubChem CID15982679
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-2-7-13-8-11(14)9-3-5-10(12)6-4-9/h2-6,13H,1,7-8H2
InChIKeyIMFQCIUEEWOWBK-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.78
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-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 107129792
1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone
CID 116589743
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)ethanone
CID 107291064
N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride
CID 87586047
1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
CID 82102300
1-(4-fluorophenyl)oct-7-en-1-one
CID 76810289
1-(4-fluorophenyl)oct-7-en-1-one
CID 58518883
1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 116589827
2-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)ethanone
CID 82101505
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 82104492
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)ethanone
CID 82261181
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285198

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone (CID 15982679) is 1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone?
The InChIKey is IMFQCIUEEWOWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-2-7-13-8-11(14)9-3-5-10(12)6-4-9/h2-6,13H,1,7-8H2.
What are the key properties of 1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone?
1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone has a molecular weight of 193.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 15982679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).