N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine

C11H7F2NS — CID 2357669

IUPACN-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine
SMILESFc1ccc(/N=C/c2ccsc2)cc1F
InChIInChI=1S/C11H7F2NS/c12-10-2-1-9(5-11(10)13)14-6-8-3-4-15-7-8/h1-7H/b14-6+
InChIKeyVPLUBPGJWZRAFE-MKMNVTDBSA-N
MW223.25 g/mol
LogP3.78
Rot. Bonds2

About N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine

N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine (PubChem CID 2357669) has the molecular formula C11H7F2NS and a molecular weight of 223.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine
PubChem CID2357669
Molecular FormulaC11H7F2NS
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC NameN-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine
SMILESFc1ccc(/N=C/c2ccsc2)cc1F
InChIInChI=1S/C11H7F2NS/c12-10-2-1-9(5-11(10)13)14-6-8-3-4-15-7-8/h1-7H/b14-6+
InChIKeyVPLUBPGJWZRAFE-MKMNVTDBSA-N
XLogP3.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 53.78
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-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine?
The IUPAC name of N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine (CID 2357669) is N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine?
The canonical SMILES for N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine is Fc1ccc(/N=C/c2ccsc2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine?
The InChIKey is VPLUBPGJWZRAFE-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H7F2NS/c12-10-2-1-9(5-11(10)13)14-6-8-3-4-15-7-8/h1-7H/b14-6+.
What are the key properties of N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine?
N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine has a molecular weight of 223.25 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-thiophen-3-ylmethanimine is sourced from PubChem (CID 2357669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).