N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine

C12H9F2NOS — CID 2351742

IUPACN-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine
SMILESFC(F)Oc1ccc(/N=C/c2ccsc2)cc1
InChIInChI=1S/C12H9F2NOS/c13-12(14)16-11-3-1-10(2-4-11)15-7-9-5-6-17-8-9/h1-8,12H/b15-7+
InChIKeyWXCXZHUVZOAXJP-VIZOYTHASA-N
MW253.27 g/mol
LogP4.10
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine

N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine (PubChem CID 2351742) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine
PubChem CID2351742
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine
SMILESFC(F)Oc1ccc(/N=C/c2ccsc2)cc1
InChIInChI=1S/C12H9F2NOS/c13-12(14)16-11-3-1-10(2-4-11)15-7-9-5-6-17-8-9/h1-8,12H/b15-7+
InChIKeyWXCXZHUVZOAXJP-VIZOYTHASA-N
XLogP4.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine (CID 2351742) is N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine is FC(F)Oc1ccc(/N=C/c2ccsc2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine?
The InChIKey is WXCXZHUVZOAXJP-VIZOYTHASA-N. The full InChI is InChI=1S/C12H9F2NOS/c13-12(14)16-11-3-1-10(2-4-11)15-7-9-5-6-17-8-9/h1-8,12H/b15-7+.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine?
N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine has a molecular weight of 253.27 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1-thiophen-3-ylmethanimine is sourced from PubChem (CID 2351742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).