3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one

C12H13FN2O — CID 57300123

IUPAC3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one
SMILESO=C1CCCC(=NNc2cccc(F)c2)C1
InChIInChI=1S/C12H13FN2O/c13-9-3-1-4-10(7-9)14-15-11-5-2-6-12(16)8-11/h1,3-4,7,14H,2,5-6,8H2
InChIKeyYAVRJNUFTIIHFQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.74
Rot. Bonds2

About 3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one

3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one (PubChem CID 57300123) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one
PubChem CID57300123
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one
SMILESO=C1CCCC(=NNc2cccc(F)c2)C1
InChIInChI=1S/C12H13FN2O/c13-9-3-1-4-10(7-9)14-15-11-5-2-6-12(16)8-11/h1,3-4,7,14H,2,5-6,8H2
InChIKeyYAVRJNUFTIIHFQ-UHFFFAOYSA-N
XLogP2.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline
CID 123597481
3-[2-(3-fluorophenyl)hydrazinyl]cyclohex-2-en-1-one
CID 14233933
(2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde
CID 87314811
1-(3-fluorophenyl)-6,7-dihydro-5H-1-benzazonine-2,4-dione
CID 164678079
1-(3-fluorophenyl)piperidine-2,6-dione
CID 82077412
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone
CID 82123612
3-fluoro-N-methylaniline
CID 2759011
(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
CID 129348991
3-fluoro-N-phenylaniline
CID 2774466
2-(3-fluoroanilino)cyclopentane-1-carbaldehyde
CID 89309233

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one?
The IUPAC name of 3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one (CID 57300123) is 3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one.
What is the SMILES notation for 3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one?
The canonical SMILES for 3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one is O=C1CCCC(=NNc2cccc(F)c2)C1.
What is the InChIKey of 3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one?
The InChIKey is YAVRJNUFTIIHFQ-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/h1,3-4,7,14H,2,5-6,8H2.
What are the key properties of 3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one?
3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one has a molecular weight of 220.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one is sourced from PubChem (CID 57300123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).