1-(4-fluorophenyl)-2-nitrosoethanone

C8H6FNO2 — CID 57125570

IUPAC1-(4-fluorophenyl)-2-nitrosoethanone
SMILESO=NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C8H6FNO2/c9-7-3-1-6(2-4-7)8(11)5-10-12/h1-4H,5H2
InChIKeyNHBSRSFDKSIGDO-UHFFFAOYSA-N
MW167.14 g/mol
LogP1.77
Rot. Bonds3

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

1-(4-fluorophenyl)-2-nitrosoethanone (PubChem CID 57125570) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-nitrosoethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-nitrosoethanone
PubChem CID57125570
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name1-(4-fluorophenyl)-2-nitrosoethanone
SMILESO=NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C8H6FNO2/c9-7-3-1-6(2-4-7)8(11)5-10-12/h1-4H,5H2
InChIKeyNHBSRSFDKSIGDO-UHFFFAOYSA-N
XLogP1.77
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-2-nitrosoethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91509207
1-(4-fluorophenyl)-2-hydroxysulfanylethanone
CID 142999162
1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone
CID 130987809
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
4-fluoro-1-(4-fluorophenyl)butane-1,3-dione
CID 15552603
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
S-[2-(4-fluorophenyl)-2-oxoethyl] ethanethioate
CID 10584638
1-(4-fluorophenyl)-4-methylpent-4-en-1-one
CID 70328582
triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium
CID 19862916
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride
CID 87586047

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-nitrosoethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-nitrosoethanone (CID 57125570) is 1-(4-fluorophenyl)-2-nitrosoethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-nitrosoethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-nitrosoethanone is O=NCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-nitrosoethanone?
The InChIKey is NHBSRSFDKSIGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c9-7-3-1-6(2-4-7)8(11)5-10-12/h1-4H,5H2.
What are the key properties of 1-(4-fluorophenyl)-2-nitrosoethanone?
1-(4-fluorophenyl)-2-nitrosoethanone has a molecular weight of 167.14 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-nitrosoethanone is sourced from PubChem (CID 57125570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).