6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine

C13H12FN — CID 151273626

IUPAC6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1C(F)c1ccccc1
InChIInChI=1S/C13H12FN/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,11,13,15H/b15-12+
InChIKeyNWXCXZMOAWLWLS-NTCAYCPXSA-N
MW201.24 g/mol
LogP3.46
Rot. Bonds2

About 6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine

6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine (PubChem CID 151273626) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine
PubChem CID151273626
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1C(F)c1ccccc1
InChIInChI=1S/C13H12FN/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,11,13,15H/b15-12+
InChIKeyNWXCXZMOAWLWLS-NTCAYCPXSA-N
XLogP3.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-(6-iminocyclohexa-2,4-dien-1-yl)acetic acid
CID 154344498
5-benzhydryl-6-methylidenecyclohexa-1,3-diene
CID 154090112
2-[(R)-fluoro(phenyl)methyl]oxirane
CID 87788232
6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine
CID 141049801
[fluoro(fluoro)methyl]benzene
CID 146164458
(2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene
CID 131720872
2-benzhydryl-2H-pyran-5-imine
CID 90715841
cyclopenta-2,4-dien-1-yl-[4-[4-[cyclopenta-2,4-dien-1-yl(diphenyl)phosphaniumyl]phenyl]phenyl]-diphenylphosphanium
CID 102345877
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
[cyclohexa-2,4-dien-1-yl(iodo)methyl]benzene
CID 89349773
2-(1-phenylethyl)-2H-pyran
CID 155618622
(1R)-2-chloro-2-fluoro-1-phenylethanol
CID 102153591

Frequently Asked Questions

What is the IUPAC name of 6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine (CID 151273626) is 6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1C(F)c1ccccc1.
What is the InChIKey of 6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine?
The InChIKey is NWXCXZMOAWLWLS-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H12FN/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,11,13,15H/b15-12+.
What are the key properties of 6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine?
6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine has a molecular weight of 201.24 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 151273626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).