4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine

C8H7F4N — CID 123223996

IUPAC4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine
SMILES[H]/N=C1\C(F)C(F)=C(C=C)C(F)C1F
InChIInChI=1S/C8H7F4N/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2,4,6-7,13H,1H2/b13-8-
InChIKeyFGYKGZCQHOEIOA-JYRVWZFOSA-N
MW193.14 g/mol
LogP2.44
Rot. Bonds1

About 4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine

4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine (PubChem CID 123223996) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is 4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine.

Molecular Properties

Compound Name4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine
PubChem CID123223996
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine
SMILES[H]/N=C1\C(F)C(F)=C(C=C)C(F)C1F
InChIInChI=1S/C8H7F4N/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2,4,6-7,13H,1H2/b13-8-
InChIKeyFGYKGZCQHOEIOA-JYRVWZFOSA-N
XLogP2.44
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.44
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

3,5-Bis(trifluoromethyl)cyclohexa-2,4-dien-1-imine
CID 163897844

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine?
The IUPAC name of 4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine (CID 123223996) is 4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine.
What is the SMILES notation for 4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine?
The canonical SMILES for 4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine is [H]/N=C1\C(F)C(F)=C(C=C)C(F)C1F.
What is the InChIKey of 4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine?
The InChIKey is FGYKGZCQHOEIOA-JYRVWZFOSA-N. The full InChI is InChI=1S/C8H7F4N/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2,4,6-7,13H,1H2/b13-8-.
What are the key properties of 4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine?
4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine has a molecular weight of 193.14 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3,5,6-tetrafluorocyclohex-3-en-1-imine is sourced from PubChem (CID 123223996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).