(3E)-4-chloro-2-fluorohexa-1,3-diene

C6H8ClF — CID 134357911

IUPAC(3E)-4-chloro-2-fluorohexa-1,3-diene
SMILESC=C(F)/C=C(/Cl)CC
InChIInChI=1S/C6H8ClF/c1-3-6(7)4-5(2)8/h4H,2-3H2,1H3/b6-4+
InChIKeyFPEFMMUJFKGHIV-GQCTYLIASA-N
MW134.58 g/mol
LogP3.00
Rot. Bonds2

About (3E)-4-chloro-2-fluorohexa-1,3-diene

(3E)-4-chloro-2-fluorohexa-1,3-diene (PubChem CID 134357911) has the molecular formula C6H8ClF and a molecular weight of 134.58 g/mol. Its IUPAC name is (3E)-4-chloro-2-fluorohexa-1,3-diene.

Molecular Properties

Compound Name(3E)-4-chloro-2-fluorohexa-1,3-diene
PubChem CID134357911
Molecular FormulaC6H8ClF
Molecular Weight134.58 g/mol
Exact Mass134.03
IUPAC Name(3E)-4-chloro-2-fluorohexa-1,3-diene
SMILESC=C(F)/C=C(/Cl)CC
InChIInChI=1S/C6H8ClF/c1-3-6(7)4-5(2)8/h4H,2-3H2,1H3/b6-4+
InChIKeyFPEFMMUJFKGHIV-GQCTYLIASA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.58
LogP ≤ 53.00
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

(Z)-3-Chloro-2-pentene
CID 12705708
(3E)-6-chloro-2-fluorohexa-1,3-diene
CID 134853874
cis-3-Chloro-3-hexene
CID 5462940
(E)-3-Chloro-3-hexene
CID 12550105
3-Chloro-2-pentene
CID 54072147
3-Hexene, 3-chloro-
CID 519371
7-Chloro-4-fluorohepta-1,2,4-triene
CID 57236239
1-Chloro-7-fluoro-4,5-dimethylcyclohepta-1,3,5-triene
CID 68267650
(3Z,5Z)-3-chloro-4-fluoronona-1,3,5-triene
CID 88067990
(E)-3-Chloro-2-pentene
CID 88588616
(3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene
CID 88967136
(3E,5E)-4-chloro-5-fluoroocta-1,3,5-triene
CID 88967186

Frequently Asked Questions

What is the IUPAC name of (3E)-4-chloro-2-fluorohexa-1,3-diene?
The IUPAC name of (3E)-4-chloro-2-fluorohexa-1,3-diene (CID 134357911) is (3E)-4-chloro-2-fluorohexa-1,3-diene.
What is the SMILES notation for (3E)-4-chloro-2-fluorohexa-1,3-diene?
The canonical SMILES for (3E)-4-chloro-2-fluorohexa-1,3-diene is C=C(F)/C=C(/Cl)CC.
What is the InChIKey of (3E)-4-chloro-2-fluorohexa-1,3-diene?
The InChIKey is FPEFMMUJFKGHIV-GQCTYLIASA-N. The full InChI is InChI=1S/C6H8ClF/c1-3-6(7)4-5(2)8/h4H,2-3H2,1H3/b6-4+.
What are the key properties of (3E)-4-chloro-2-fluorohexa-1,3-diene?
(3E)-4-chloro-2-fluorohexa-1,3-diene has a molecular weight of 134.58 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-chloro-2-fluorohexa-1,3-diene is sourced from PubChem (CID 134357911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).