1-(4-fluorophenyl)-2-iminoethanone

C8H6FNO — CID 57035485

IUPAC1-(4-fluorophenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(F)cc1
InChIInChI=1S/C8H6FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-5,10H/b10-5+
InChIKeyNIHDYFICHQPLBK-BJMVGYQFSA-N
MW151.14 g/mol
LogP1.66
Rot. Bonds2

About 1-(4-fluorophenyl)-2-iminoethanone

1-(4-fluorophenyl)-2-iminoethanone (PubChem CID 57035485) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-iminoethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-iminoethanone
PubChem CID57035485
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name1-(4-fluorophenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(F)cc1
InChIInChI=1S/C8H6FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-5,10H/b10-5+
InChIKeyNIHDYFICHQPLBK-BJMVGYQFSA-N
XLogP1.66
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzoylphenyl)-2-iminoethanone
CID 57228817
1-[3-(4-chlorophenoxy)-4-fluorophenyl]-2-iminoethanone
CID 56611418
1-(3-hydroxyphenyl)-2-iminoethanone
CID 56609205
[3-(4-fluorophenyl)-3-oxoprop-1-enylidene]azanide
CID 137295672
3-(dimethylamino)-1-[4-(4-fluorophenoxy)phenyl]prop-2-en-1-one;methanimidamide
CID 91391919
3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one
CID 2875892
(E)-1-(4-fluorophenyl)pent-2-en-1-one
CID 19551234
[[2-(4-fluorophenyl)-2-oxoethylidene]hydrazinylidene]azanide
CID 170923403
(E)-1-(4-fluorophenyl)-4-methylpent-2-en-1-one
CID 14300275
(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
CID 102206205
3-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one
CID 565647
(E)-1-(4-fluorophenyl)hept-2-en-6-yn-1-one
CID 164672995

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-iminoethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-iminoethanone (CID 57035485) is 1-(4-fluorophenyl)-2-iminoethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-iminoethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-iminoethanone is [H]/N=C/C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-iminoethanone?
The InChIKey is NIHDYFICHQPLBK-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H6FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-5,10H/b10-5+.
What are the key properties of 1-(4-fluorophenyl)-2-iminoethanone?
1-(4-fluorophenyl)-2-iminoethanone has a molecular weight of 151.14 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-iminoethanone is sourced from PubChem (CID 57035485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).