2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one

C13H12FNO2 — CID 135427608

IUPAC2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one
SMILESO=C1CCCC(O)=C1/C=N/c1ccccc1F
InChIInChI=1S/C13H12FNO2/c14-10-4-1-2-5-11(10)15-8-9-12(16)6-3-7-13(9)17/h1-2,4-5,8,16H,3,6-7H2/b15-8+
InChIKeyUAXSAINTPJCIHF-OVCLIPMQSA-N
MW233.24 g/mol
LogP3.09
Rot. Bonds2

About 2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one

2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one (PubChem CID 135427608) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one
PubChem CID135427608
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one
SMILESO=C1CCCC(O)=C1/C=N/c1ccccc1F
InChIInChI=1S/C13H12FNO2/c14-10-4-1-2-5-11(10)15-8-9-12(16)6-3-7-13(9)17/h1-2,4-5,8,16H,3,6-7H2/b15-8+
InChIKeyUAXSAINTPJCIHF-OVCLIPMQSA-N
XLogP3.09
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-hydroxy-6-oxocyclohexen-1-yl)methylideneamino]-2-phenylacetic acid
CID 135910914
3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]cyclohex-2-en-1-one
CID 135432631
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxycyclohex-2-en-1-one
CID 135672019
ethyl 3-[(2-hydroxy-6-oxocyclohexen-1-yl)methylideneamino]benzoate
CID 135470572
(2-hydroxy-6-oxocyclohexen-1-yl)methylidenethiourea
CID 135406836
2-hydroxy-6-oxocyclohexene-1-carbothialdehyde
CID 135997825
nonyl 4-[(2-hydroxy-6-oxocyclohexen-1-yl)methylideneamino]benzoate
CID 135721292
N-(2-fluorophenyl)-1-(4-fluorophenyl)methanimine
CID 23329235
3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one
CID 135604836
2-[(2-ethylphenyl)iminomethyl]-3-hydroxy-5-phenylcyclohex-2-en-1-one
CID 135411570
2-[(2-fluorophenyl)methylideneamino]phenol
CID 677307
2-[2-(dimethylamino)ethyliminomethyl]-3-hydroxycyclohex-2-en-1-one
CID 169322882

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one?
The IUPAC name of 2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one (CID 135427608) is 2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one is O=C1CCCC(O)=C1/C=N/c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one?
The InChIKey is UAXSAINTPJCIHF-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-10-4-1-2-5-11(10)15-8-9-12(16)6-3-7-13(9)17/h1-2,4-5,8,16H,3,6-7H2/b15-8+.
What are the key properties of 2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one?
2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one has a molecular weight of 233.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 135427608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).