4-fluorohexa-1,4-dien-3-imine

C6H8FN — CID 123515356

IUPAC4-fluorohexa-1,4-dien-3-imine
SMILES[H]/N=C(\C=C)C(F)=CC
InChIInChI=1S/C6H8FN/c1-3-5(7)6(8)4-2/h3-4,8H,2H2,1H3/b5-3?,8-6+
InChIKeyTVLOAINSTNMIFJ-NIXDYCKDSA-N
MW113.13 g/mol
LogP2.07
Rot. Bonds2

About 4-fluorohexa-1,4-dien-3-imine

4-fluorohexa-1,4-dien-3-imine (PubChem CID 123515356) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 4-fluorohexa-1,4-dien-3-imine.

Molecular Properties

Compound Name4-fluorohexa-1,4-dien-3-imine
PubChem CID123515356
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name4-fluorohexa-1,4-dien-3-imine
SMILES[H]/N=C(\C=C)C(F)=CC
InChIInChI=1S/C6H8FN/c1-3-5(7)6(8)4-2/h3-4,8H,2H2,1H3/b5-3?,8-6+
InChIKeyTVLOAINSTNMIFJ-NIXDYCKDSA-N
XLogP2.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 52.07
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
4-Fluorohex-4-en-3-imine
CID 91259833
(4E)-4-fluorohepta-1,4-dien-3-imine
CID 91304230
(E)-5-fluorohex-4-en-3-imine
CID 91325186
(3Z)-5-fluorohexa-3,5-dien-2-imine
CID 91396866
(E)-4-fluorohex-4-en-3-imine
CID 91480472
(3E,5E)-3,5-difluorohepta-3,5-dien-2-imine
CID 117718963
(E)-3-fluorohex-3-en-2-imine
CID 123164683
4-Fluorocyclohepta-2,6-dien-1-imine
CID 123197524
(E)-4-fluoro-5-methylhex-3-en-2-imine
CID 123219991
(Z)-6-fluorohex-4-en-3-imine
CID 123311862
(E)-3-fluoropent-3-en-2-imine
CID 123367626

Frequently Asked Questions

What is the IUPAC name of 4-fluorohexa-1,4-dien-3-imine?
The IUPAC name of 4-fluorohexa-1,4-dien-3-imine (CID 123515356) is 4-fluorohexa-1,4-dien-3-imine.
What is the SMILES notation for 4-fluorohexa-1,4-dien-3-imine?
The canonical SMILES for 4-fluorohexa-1,4-dien-3-imine is [H]/N=C(\C=C)C(F)=CC.
What is the InChIKey of 4-fluorohexa-1,4-dien-3-imine?
The InChIKey is TVLOAINSTNMIFJ-NIXDYCKDSA-N. The full InChI is InChI=1S/C6H8FN/c1-3-5(7)6(8)4-2/h3-4,8H,2H2,1H3/b5-3?,8-6+.
What are the key properties of 4-fluorohexa-1,4-dien-3-imine?
4-fluorohexa-1,4-dien-3-imine has a molecular weight of 113.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorohexa-1,4-dien-3-imine is sourced from PubChem (CID 123515356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).