(4-fluoro-2-methylphenyl)-phenylmethanimine

C14H12FN — CID 19957061

IUPAC(4-fluoro-2-methylphenyl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1ccc(F)cc1C
InChIInChI=1S/C14H12FN/c1-10-9-12(15)7-8-13(10)14(16)11-5-3-2-4-6-11/h2-9,16H,1H3/b16-14+
InChIKeyKEYOCRAAVHBAFC-JQIJEIRASA-N
MW213.26 g/mol
LogP3.55
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-phenylmethanimine

(4-fluoro-2-methylphenyl)-phenylmethanimine (PubChem CID 19957061) has the molecular formula C14H12FN and a molecular weight of 213.26 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-phenylmethanimine.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-phenylmethanimine
PubChem CID19957061
Molecular FormulaC14H12FN
Molecular Weight213.26 g/mol
Exact Mass213.10
IUPAC Name(4-fluoro-2-methylphenyl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1ccc(F)cc1C
InChIInChI=1S/C14H12FN/c1-10-9-12(15)7-8-13(10)14(16)11-5-3-2-4-6-11/h2-9,16H,1H3/b16-14+
InChIKeyKEYOCRAAVHBAFC-JQIJEIRASA-N
XLogP3.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-phenylmethanimine?
The IUPAC name of (4-fluoro-2-methylphenyl)-phenylmethanimine (CID 19957061) is (4-fluoro-2-methylphenyl)-phenylmethanimine.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-phenylmethanimine?
The canonical SMILES for (4-fluoro-2-methylphenyl)-phenylmethanimine is [H]/N=C(\c1ccccc1)c1ccc(F)cc1C.
What is the InChIKey of (4-fluoro-2-methylphenyl)-phenylmethanimine?
The InChIKey is KEYOCRAAVHBAFC-JQIJEIRASA-N. The full InChI is InChI=1S/C14H12FN/c1-10-9-12(15)7-8-13(10)14(16)11-5-3-2-4-6-11/h2-9,16H,1H3/b16-14+.
What are the key properties of (4-fluoro-2-methylphenyl)-phenylmethanimine?
(4-fluoro-2-methylphenyl)-phenylmethanimine has a molecular weight of 213.26 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-phenylmethanimine is sourced from PubChem (CID 19957061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).