1,1-difluoro-N-phenylmethanimine

C7H5F2N — CID 12699871

IUPAC1,1-difluoro-N-phenylmethanimine
SMILESFC(F)=Nc1ccccc1
InChIInChI=1S/C7H5F2N/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKeyLLUJQFKLCQSODQ-UHFFFAOYSA-N
MW141.12 g/mol
LogP2.61
Rot. Bonds1

About 1,1-difluoro-N-phenylmethanimine

1,1-difluoro-N-phenylmethanimine (PubChem CID 12699871) has the molecular formula C7H5F2N and a molecular weight of 141.12 g/mol. Its IUPAC name is 1,1-difluoro-N-phenylmethanimine.

Molecular Properties

Compound Name1,1-difluoro-N-phenylmethanimine
PubChem CID12699871
Molecular FormulaC7H5F2N
Molecular Weight141.12 g/mol
Exact Mass141.04
IUPAC Name1,1-difluoro-N-phenylmethanimine
SMILESFC(F)=Nc1ccccc1
InChIInChI=1S/C7H5F2N/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKeyLLUJQFKLCQSODQ-UHFFFAOYSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.12
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-N-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-phenylmethanimine?
The IUPAC name of 1,1-difluoro-N-phenylmethanimine (CID 12699871) is 1,1-difluoro-N-phenylmethanimine.
What is the SMILES notation for 1,1-difluoro-N-phenylmethanimine?
The canonical SMILES for 1,1-difluoro-N-phenylmethanimine is FC(F)=Nc1ccccc1.
What is the InChIKey of 1,1-difluoro-N-phenylmethanimine?
The InChIKey is LLUJQFKLCQSODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N/c8-7(9)10-6-4-2-1-3-5-6/h1-5H.
What are the key properties of 1,1-difluoro-N-phenylmethanimine?
1,1-difluoro-N-phenylmethanimine has a molecular weight of 141.12 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-phenylmethanimine is sourced from PubChem (CID 12699871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).