6,6-difluorocyclohexa-2,4-dien-1-imine

C6H5F2N — CID 70342878

IUPAC6,6-difluorocyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1(F)F
InChIInChI=1S/C6H5F2N/c7-6(8)4-2-1-3-5(6)9/h1-4,9H/b9-5+
InChIKeyIUSSNZBFPCBYFB-WEVVVXLNSA-N
MW129.11 g/mol
LogP1.77
Rot. Bonds

About 6,6-difluorocyclohexa-2,4-dien-1-imine

6,6-difluorocyclohexa-2,4-dien-1-imine (PubChem CID 70342878) has the molecular formula C6H5F2N and a molecular weight of 129.11 g/mol. Its IUPAC name is 6,6-difluorocyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6,6-difluorocyclohexa-2,4-dien-1-imine
PubChem CID70342878
Molecular FormulaC6H5F2N
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name6,6-difluorocyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1(F)F
InChIInChI=1S/C6H5F2N/c7-6(8)4-2-1-3-5(6)9/h1-4,9H/b9-5+
InChIKeyIUSSNZBFPCBYFB-WEVVVXLNSA-N
XLogP1.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 51.77
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 6,6-difluorocyclohexa-2,4-dien-1-imine?
The IUPAC name of 6,6-difluorocyclohexa-2,4-dien-1-imine (CID 70342878) is 6,6-difluorocyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6,6-difluorocyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6,6-difluorocyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1(F)F.
What is the InChIKey of 6,6-difluorocyclohexa-2,4-dien-1-imine?
The InChIKey is IUSSNZBFPCBYFB-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H5F2N/c7-6(8)4-2-1-3-5(6)9/h1-4,9H/b9-5+.
What are the key properties of 6,6-difluorocyclohexa-2,4-dien-1-imine?
6,6-difluorocyclohexa-2,4-dien-1-imine has a molecular weight of 129.11 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorocyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 70342878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).