3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine

C8H11F2N — CID 123476549

IUPAC3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
SMILESC/N=C1\CCC(F)C(F)=C1C
InChIInChI=1S/C8H11F2N/c1-5-7(11-2)4-3-6(9)8(5)10/h6H,3-4H2,1-2H3/b11-7+
InChIKeyORRQUJYRDUGTSL-YRNVUSSQSA-N
MW159.18 g/mol
LogP2.43
Rot. Bonds

About 3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine

3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine (PubChem CID 123476549) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
PubChem CID123476549
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
SMILESC/N=C1\CCC(F)C(F)=C1C
InChIInChI=1S/C8H11F2N/c1-5-7(11-2)4-3-6(9)8(5)10/h6H,3-4H2,1-2H3/b11-7+
InChIKeyORRQUJYRDUGTSL-YRNVUSSQSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.43
H-Bond Donors ≤ 50
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 3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine?
The IUPAC name of 3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine (CID 123476549) is 3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine.
What is the SMILES notation for 3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine?
The canonical SMILES for 3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine is C/N=C1\CCC(F)C(F)=C1C.
What is the InChIKey of 3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine?
The InChIKey is ORRQUJYRDUGTSL-YRNVUSSQSA-N. The full InChI is InChI=1S/C8H11F2N/c1-5-7(11-2)4-3-6(9)8(5)10/h6H,3-4H2,1-2H3/b11-7+.
What are the key properties of 3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine?
3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine has a molecular weight of 159.18 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 123476549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).