(3E)-6-chloro-2-fluorohexa-1,3-diene

C6H8ClF — CID 134853874

IUPAC(3E)-6-chloro-2-fluorohexa-1,3-diene
SMILESC=C(F)/C=C/CCCl
InChIInChI=1S/C6H8ClF/c1-6(8)4-2-3-5-7/h2,4H,1,3,5H2/b4-2+
InChIKeyDIMJXTJTPDBJSE-DUXPYHPUSA-N
MW134.58 g/mol
LogP2.65
Rot. Bonds3

About (3E)-6-chloro-2-fluorohexa-1,3-diene

(3E)-6-chloro-2-fluorohexa-1,3-diene (PubChem CID 134853874) has the molecular formula C6H8ClF and a molecular weight of 134.58 g/mol. Its IUPAC name is (3E)-6-chloro-2-fluorohexa-1,3-diene.

Molecular Properties

Compound Name(3E)-6-chloro-2-fluorohexa-1,3-diene
PubChem CID134853874
Molecular FormulaC6H8ClF
Molecular Weight134.58 g/mol
Exact Mass134.03
IUPAC Name(3E)-6-chloro-2-fluorohexa-1,3-diene
SMILESC=C(F)/C=C/CCCl
InChIInChI=1S/C6H8ClF/c1-6(8)4-2-3-5-7/h2,4H,1,3,5H2/b4-2+
InChIKeyDIMJXTJTPDBJSE-DUXPYHPUSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.58
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Chlorohexa-1,3-diene
CID 71331340
5-Chloro-1-fluorocyclohexa-1,3-diene
CID 18377253
(4Z)-3-chloro-4-fluorohexa-1,4-diene
CID 56996116
7-Chloro-4-fluorohepta-1,2,4-triene
CID 57236239
(3Z)-5-chloro-7,7,7-trifluorohepta-1,3-diene
CID 87430192
(2Z,4E)-5-(chloromethyl)-6-fluorohepta-2,4-diene
CID 88262685
6-Chloro-5-fluoro-2-methylcyclohexa-1,3-diene
CID 89049594
6-Chloro-2-fluorocyclohexa-1,3-diene
CID 89136239
5-Chloro-1-fluoro-2-methylcyclohexa-1,3-diene
CID 91379740
4-Chloro-5-fluorohepta-2,4-diene
CID 123768949
(3E)-4-chloro-2-fluorohexa-1,3-diene
CID 134357911
(E)-5-chloro-6-fluorohept-3-ene
CID 134389897

Frequently Asked Questions

What is the IUPAC name of (3E)-6-chloro-2-fluorohexa-1,3-diene?
The IUPAC name of (3E)-6-chloro-2-fluorohexa-1,3-diene (CID 134853874) is (3E)-6-chloro-2-fluorohexa-1,3-diene.
What is the SMILES notation for (3E)-6-chloro-2-fluorohexa-1,3-diene?
The canonical SMILES for (3E)-6-chloro-2-fluorohexa-1,3-diene is C=C(F)/C=C/CCCl.
What is the InChIKey of (3E)-6-chloro-2-fluorohexa-1,3-diene?
The InChIKey is DIMJXTJTPDBJSE-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H8ClF/c1-6(8)4-2-3-5-7/h2,4H,1,3,5H2/b4-2+.
What are the key properties of (3E)-6-chloro-2-fluorohexa-1,3-diene?
(3E)-6-chloro-2-fluorohexa-1,3-diene has a molecular weight of 134.58 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-2-fluorohexa-1,3-diene is sourced from PubChem (CID 134853874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).