(4Z)-6,7-difluoroocta-4,6-dien-2-imine

C8H11F2N — CID 123446884

IUPAC(4Z)-6,7-difluoroocta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C/C=C\C(F)=C(C)F
InChIInChI=1S/C8H11F2N/c1-6(11)4-3-5-8(10)7(2)9/h3,5,11H,4H2,1-2H3/b5-3-,8-7?,11-6+
InChIKeyCJJHRXINMGYPJM-XKCQWDPWSA-N
MW159.18 g/mol
LogP3.14
Rot. Bonds3

About (4Z)-6,7-difluoroocta-4,6-dien-2-imine

(4Z)-6,7-difluoroocta-4,6-dien-2-imine (PubChem CID 123446884) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is (4Z)-6,7-difluoroocta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4Z)-6,7-difluoroocta-4,6-dien-2-imine
PubChem CID123446884
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(4Z)-6,7-difluoroocta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C/C=C\C(F)=C(C)F
InChIInChI=1S/C8H11F2N/c1-6(11)4-3-5-8(10)7(2)9/h3,5,11H,4H2,1-2H3/b5-3-,8-7?,11-6+
InChIKeyCJJHRXINMGYPJM-XKCQWDPWSA-N
XLogP3.14
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Fluorocyclohexa-2,4-dien-1-imine
CID 70294279
6,6-Difluorocyclohexa-2,4-dien-1-imine
CID 70342878
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3Z)-5-fluorohexa-3,5-dien-2-imine
CID 91396866
(3E,5E)-3,5-difluorohepta-3,5-dien-2-imine
CID 117718963
(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine
CID 118102417
(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
CID 122417254
(Z)-6-fluorohex-4-en-3-imine
CID 123311862
5-Fluoro-6-methylhepta-4,6-dien-2-imine
CID 123502589
4-Fluorocycloocta-2,4-dien-1-imine
CID 123597459
(4E)-5-fluorohepta-4,6-dien-3-imine
CID 123678972
(Z)-2,6-difluorohept-4-en-3-imine
CID 123953026

Frequently Asked Questions

What is the IUPAC name of (4Z)-6,7-difluoroocta-4,6-dien-2-imine?
The IUPAC name of (4Z)-6,7-difluoroocta-4,6-dien-2-imine (CID 123446884) is (4Z)-6,7-difluoroocta-4,6-dien-2-imine.
What is the SMILES notation for (4Z)-6,7-difluoroocta-4,6-dien-2-imine?
The canonical SMILES for (4Z)-6,7-difluoroocta-4,6-dien-2-imine is [H]/N=C(\C)C/C=C\C(F)=C(C)F.
What is the InChIKey of (4Z)-6,7-difluoroocta-4,6-dien-2-imine?
The InChIKey is CJJHRXINMGYPJM-XKCQWDPWSA-N. The full InChI is InChI=1S/C8H11F2N/c1-6(11)4-3-5-8(10)7(2)9/h3,5,11H,4H2,1-2H3/b5-3-,8-7?,11-6+.
What are the key properties of (4Z)-6,7-difluoroocta-4,6-dien-2-imine?
(4Z)-6,7-difluoroocta-4,6-dien-2-imine has a molecular weight of 159.18 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6,7-difluoroocta-4,6-dien-2-imine is sourced from PubChem (CID 123446884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).