6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine

C7H5F2N — CID 10419267

IUPAC6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1=C(F)F
InChIInChI=1S/C7H5F2N/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H/b10-6+
InChIKeyNSWNRLVMAATFDE-UXBLZVDNSA-N
MW141.12 g/mol
LogP2.28
Rot. Bonds

About 6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine

6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 10419267) has the molecular formula C7H5F2N and a molecular weight of 141.12 g/mol. Its IUPAC name is 6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine
PubChem CID10419267
Molecular FormulaC7H5F2N
Molecular Weight141.12 g/mol
Exact Mass141.04
IUPAC Name6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1=C(F)F
InChIInChI=1S/C7H5F2N/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H/b10-6+
InChIKeyNSWNRLVMAATFDE-UXBLZVDNSA-N
XLogP2.28
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine (CID 10419267) is 6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1=C(F)F.
What is the InChIKey of 6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is NSWNRLVMAATFDE-UXBLZVDNSA-N. The full InChI is InChI=1S/C7H5F2N/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H/b10-6+.
What are the key properties of 6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine?
6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 141.12 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 10419267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).