N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine

C10H9F2N — CID 142157877

IUPACN-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine
SMILESC=Nc1cc(C)cc(F)c1C(=C)F
InChIInChI=1S/C10H9F2N/c1-6-4-8(12)10(7(2)11)9(5-6)13-3/h4-5H,2-3H2,1H3
InChIKeyPSACPJLXGYTRDT-UHFFFAOYSA-N
MW181.18 g/mol
LogP3.41
Rot. Bonds2

About N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine

N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine (PubChem CID 142157877) has the molecular formula C10H9F2N and a molecular weight of 181.18 g/mol. Its IUPAC name is N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine.

Molecular Properties

Compound NameN-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine
PubChem CID142157877
Molecular FormulaC10H9F2N
Molecular Weight181.18 g/mol
Exact Mass181.07
IUPAC NameN-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine
SMILESC=Nc1cc(C)cc(F)c1C(=C)F
InChIInChI=1S/C10H9F2N/c1-6-4-8(12)10(7(2)11)9(5-6)13-3/h4-5H,2-3H2,1H3
InChIKeyPSACPJLXGYTRDT-UHFFFAOYSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethylaniline
CID 7259
2,5-Dimethylphenyl isocyanate
CID 98605
2,5-Dimethylphenyl isothiocyanate
CID 140499
Biguanide, 1-(2,5-xylyl)-
CID 34519
N-Benzylidene-2,5-xylidine
CID 4583663
5-Fluoro-o-tolyl Isothiocyanate
CID 519443
5-Fluoro-o-tolyl isocyanate
CID 2734879
2-Methyl-5-(trifluoromethyl)aniline
CID 2735933
1-Fluoro-4-isocyanato-2-methylbenzene
CID 4093965
3-Fluoro-2-methylphenyl isocyanate
CID 12414170
2-Fluoro-5-methylphenyl isocyanate
CID 2733377
4-Fluoro-2-methylphenyl isothiocyanate
CID 2737399

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine?
The IUPAC name of N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine (CID 142157877) is N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine.
What is the SMILES notation for N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine?
The canonical SMILES for N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine is C=Nc1cc(C)cc(F)c1C(=C)F.
What is the InChIKey of N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine?
The InChIKey is PSACPJLXGYTRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N/c1-6-4-8(12)10(7(2)11)9(5-6)13-3/h4-5H,2-3H2,1H3.
What are the key properties of N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine?
N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine has a molecular weight of 181.18 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-(1-fluoroethenyl)-5-methylphenyl]methanimine is sourced from PubChem (CID 142157877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).