N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine

C17H10ClF2NO — CID 126016950

IUPACN-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
SMILESFc1cccc(-c2ccc(/C=N/c3ccc(F)c(Cl)c3)o2)c1
InChIInChI=1S/C17H10ClF2NO/c18-15-9-13(4-6-16(15)20)21-10-14-5-7-17(22-14)11-2-1-3-12(19)8-11/h1-10H/b21-10+
InChIKeyCIGQHKARLCZYQV-UFFVCSGVSA-N
MW317.72 g/mol
LogP5.63
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine

N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine (PubChem CID 126016950) has the molecular formula C17H10ClF2NO and a molecular weight of 317.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
PubChem CID126016950
Molecular FormulaC17H10ClF2NO
Molecular Weight317.72 g/mol
Exact Mass317.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
SMILESFc1cccc(-c2ccc(/C=N/c3ccc(F)c(Cl)c3)o2)c1
InChIInChI=1S/C17H10ClF2NO/c18-15-9-13(4-6-16(15)20)21-10-14-5-7-17(22-14)11-2-1-3-12(19)8-11/h1-10H/b21-10+
InChIKeyCIGQHKARLCZYQV-UFFVCSGVSA-N
XLogP5.63
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.72
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine (CID 126016950) is N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine is Fc1cccc(-c2ccc(/C=N/c3ccc(F)c(Cl)c3)o2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The InChIKey is CIGQHKARLCZYQV-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H10ClF2NO/c18-15-9-13(4-6-16(15)20)21-10-14-5-7-17(22-14)11-2-1-3-12(19)8-11/h1-10H/b21-10+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine has a molecular weight of 317.72 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine is sourced from PubChem (CID 126016950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).