3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one

C12H13FN2O — CID 14233933

IUPAC3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one
SMILESO=C1C=C(NNc2cccc(F)c2)CCC1
InChIInChI=1S/C12H13FN2O/c13-9-3-1-4-10(7-9)14-15-11-5-2-6-12(16)8-11/h1,3-4,7-8,14-15H,2,5-6H2
InChIKeyQGRJFJWUDWGCDP-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.38
Rot. Bonds3

About 3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one

3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one (PubChem CID 14233933) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one
PubChem CID14233933
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one
SMILESO=C1C=C(NNc2cccc(F)c2)CCC1
InChIInChI=1S/C12H13FN2O/c13-9-3-1-4-10(7-9)14-15-11-5-2-6-12(16)8-11/h1,3-4,7-8,14-15H,2,5-6H2
InChIKeyQGRJFJWUDWGCDP-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one
CID 57300123
3-[(3-fluorophenyl)methyl]cyclohept-2-en-1-one
CID 107382671
N'-(3-fluorophenyl)cyclobutanecarbohydrazide
CID 169221984
methyl 1-(3-fluoroanilino)cyclobutane-1-carboxylate
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methyl 1-(3-fluoroanilino)cyclopentane-1-carboxylate
CID 54890364
(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 90464997
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone
CID 82123612
3-(3-fluoroanilino)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 171099883
3-fluoro-N-methylaniline
CID 2759011
3-(3-fluoroanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
CID 20926835
3-fluoro-N-phenylaniline
CID 2774466
(3-fluoroanilino)thiourea
CID 1482872

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one?
The IUPAC name of 3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one (CID 14233933) is 3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one is O=C1C=C(NNc2cccc(F)c2)CCC1.
What is the InChIKey of 3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one?
The InChIKey is QGRJFJWUDWGCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-9-3-1-4-10(7-9)14-15-11-5-2-6-12(16)8-11/h1,3-4,7-8,14-15H,2,5-6H2.
What are the key properties of 3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one?
3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one has a molecular weight of 220.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one is sourced from PubChem (CID 14233933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).