(3E)-4-fluorohexa-1,3-diene

C6H9F — CID 88586520

IUPAC(3E)-4-fluorohexa-1,3-diene
SMILESC=C/C=C(/F)CC
InChIInChI=1S/C6H9F/c1-3-5-6(7)4-2/h3,5H,1,4H2,2H3/b6-5+
InChIKeyOODCSLCQVOPVTQ-AATRIKPKSA-N
MW100.14 g/mol
LogP2.44
Rot. Bonds2

About (3E)-4-fluorohexa-1,3-diene

(3E)-4-fluorohexa-1,3-diene (PubChem CID 88586520) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is (3E)-4-fluorohexa-1,3-diene.

Molecular Properties

Compound Name(3E)-4-fluorohexa-1,3-diene
PubChem CID88586520
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name(3E)-4-fluorohexa-1,3-diene
SMILESC=C/C=C(/F)CC
InChIInChI=1S/C6H9F/c1-3-5-6(7)4-2/h3,5H,1,4H2,2H3/b6-5+
InChIKeyOODCSLCQVOPVTQ-AATRIKPKSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
(3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene
CID 118190307
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
N-[(E)-2-fluorobut-1-enyl]methanimine
CID 134191875
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(2E,4E)-5-fluoro-2-methylhepta-2,4-dienenitrile
CID 176963287
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(2E)-2-ethylpenta-2,4-dienal
CID 88543271
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluorohexa-1,3-diene?
The IUPAC name of (3E)-4-fluorohexa-1,3-diene (CID 88586520) is (3E)-4-fluorohexa-1,3-diene.
What is the SMILES notation for (3E)-4-fluorohexa-1,3-diene?
The canonical SMILES for (3E)-4-fluorohexa-1,3-diene is C=C/C=C(/F)CC.
What is the InChIKey of (3E)-4-fluorohexa-1,3-diene?
The InChIKey is OODCSLCQVOPVTQ-AATRIKPKSA-N. The full InChI is InChI=1S/C6H9F/c1-3-5-6(7)4-2/h3,5H,1,4H2,2H3/b6-5+.
What are the key properties of (3E)-4-fluorohexa-1,3-diene?
(3E)-4-fluorohexa-1,3-diene has a molecular weight of 100.14 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluorohexa-1,3-diene is sourced from PubChem (CID 88586520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).