4,6-difluorocyclohex-2-en-1-imine

C6H7F2N — CID 123220373

IUPAC4,6-difluorocyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CC(F)CC1F
InChIInChI=1S/C6H7F2N/c7-4-1-2-6(9)5(8)3-4/h1-2,4-5,9H,3H2/b9-6+
InChIKeyYNBCZFKYDPIMPG-RMKNXTFCSA-N
MW131.12 g/mol
LogP1.64
Rot. Bonds

About 4,6-difluorocyclohex-2-en-1-imine

4,6-difluorocyclohex-2-en-1-imine (PubChem CID 123220373) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 4,6-difluorocyclohex-2-en-1-imine.

Molecular Properties

Compound Name4,6-difluorocyclohex-2-en-1-imine
PubChem CID123220373
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name4,6-difluorocyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CC(F)CC1F
InChIInChI=1S/C6H7F2N/c7-4-1-2-6(9)5(8)3-4/h1-2,4-5,9H,3H2/b9-6+
InChIKeyYNBCZFKYDPIMPG-RMKNXTFCSA-N
XLogP1.64
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,5-difluoropent-3-en-2-imine
CID 134933350
Cyclohexenimine
CID 18766735
Cyclohex-3-en-1-imine
CID 56633611
Cyclohex-4-ene-1,3-diimine
CID 101179917
4-Fluorocyclohexa-2,4-dien-1-imine
CID 70294279
6,6-Difluorocyclohexa-2,4-dien-1-imine
CID 70342878
(6,6-Difluorocyclohexa-2,4-dien-1-ylidene)azanium iodide
CID 88277875
4,5-Difluorocyclohex-3-ene-1,2-diimine
CID 89255234
4-Fluorocyclohex-2-en-1-imine
CID 90739685
(Z)-(4-fluorocyclohex-2-en-1-ylidene)hydrazine
CID 90934155
2-Fluorocyclohex-2-en-1-imine
CID 91211709
4-Fluorocyclohept-2-en-1-imine
CID 91309761

Frequently Asked Questions

What is the IUPAC name of 4,6-difluorocyclohex-2-en-1-imine?
The IUPAC name of 4,6-difluorocyclohex-2-en-1-imine (CID 123220373) is 4,6-difluorocyclohex-2-en-1-imine.
What is the SMILES notation for 4,6-difluorocyclohex-2-en-1-imine?
The canonical SMILES for 4,6-difluorocyclohex-2-en-1-imine is [H]/N=C1\C=CC(F)CC1F.
What is the InChIKey of 4,6-difluorocyclohex-2-en-1-imine?
The InChIKey is YNBCZFKYDPIMPG-RMKNXTFCSA-N. The full InChI is InChI=1S/C6H7F2N/c7-4-1-2-6(9)5(8)3-4/h1-2,4-5,9H,3H2/b9-6+.
What are the key properties of 4,6-difluorocyclohex-2-en-1-imine?
4,6-difluorocyclohex-2-en-1-imine has a molecular weight of 131.12 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluorocyclohex-2-en-1-imine is sourced from PubChem (CID 123220373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).