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

C6H6FN — CID 141300863

IUPAC6-fluorocyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1F
InChIInChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-5,8H/b8-6+
InChIKeyWVOSTUJTROCDKP-SOFGYWHQSA-N
MW111.12 g/mol
LogP1.47
Rot. Bonds

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

6-fluorocyclohexa-2,4-dien-1-imine (PubChem CID 141300863) has the molecular formula C6H6FN and a molecular weight of 111.12 g/mol. Its IUPAC name is 6-fluorocyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-fluorocyclohexa-2,4-dien-1-imine
PubChem CID141300863
Molecular FormulaC6H6FN
Molecular Weight111.12 g/mol
Exact Mass111.05
IUPAC Name6-fluorocyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1F
InChIInChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-5,8H/b8-6+
InChIKeyWVOSTUJTROCDKP-SOFGYWHQSA-N
XLogP1.47
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 51.47
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-fluorocyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-fluorocyclohexa-2,4-dien-1-imine (CID 141300863) is 6-fluorocyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-fluorocyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-fluorocyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1F.
What is the InChIKey of 6-fluorocyclohexa-2,4-dien-1-imine?
The InChIKey is WVOSTUJTROCDKP-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-5,8H/b8-6+.
What are the key properties of 6-fluorocyclohexa-2,4-dien-1-imine?
6-fluorocyclohexa-2,4-dien-1-imine has a molecular weight of 111.12 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorocyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141300863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).