6-chloro-4-fluorohexa-1,2,4-triene

C6H6ClF — CID 57264476

IUPAC6-chloro-4-fluorohexa-1,2,4-triene
SMILESC=C=CC(F)=CCCl
InChIInChI=1S/C6H6ClF/c1-2-3-6(8)4-5-7/h3-4H,1,5H2
InChIKeyPFENTXSMRXLXFC-UHFFFAOYSA-N
MW132.56 g/mol
LogP2.42
Rot. Bonds2

About 6-chloro-4-fluorohexa-1,2,4-triene

6-chloro-4-fluorohexa-1,2,4-triene (PubChem CID 57264476) has the molecular formula C6H6ClF and a molecular weight of 132.56 g/mol. Its IUPAC name is 6-chloro-4-fluorohexa-1,2,4-triene.

Molecular Properties

Compound Name6-chloro-4-fluorohexa-1,2,4-triene
PubChem CID57264476
Molecular FormulaC6H6ClF
Molecular Weight132.56 g/mol
Exact Mass132.01
IUPAC Name6-chloro-4-fluorohexa-1,2,4-triene
SMILESC=C=CC(F)=CCCl
InChIInChI=1S/C6H6ClF/c1-2-3-6(8)4-5-7/h3-4H,1,5H2
InChIKeyPFENTXSMRXLXFC-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.56
LogP ≤ 52.42
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

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CID 57248947
7-fluoro-4-methylhepta-1,2,4-triene
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4-chloro-1,1,1-trifluoro-2-(trifluoromethyl)but-2-ene
CID 11241329
1,1,1-trichloropenta-3,4-dien-2-one
CID 10607579
5-chloro-N-methyl-2-propa-1,2-dienylhexa-2,4-dien-1-amine
CID 123567614
(4E)-4-methylhexa-1,2,4-triene
CID 90999929
1-chloro-3-ethylpent-2-ene
CID 15197587
(Z)-2-bromo-1,4-dichlorobut-2-ene
CID 10910617
CID 157225905
CID 157225905
(E)-2,2,6-trichloro-4-methylhex-4-enenitrile
CID 14146953
(3E)-5-chloro-3-methylsulfanylpenta-1,3-diene
CID 163553317
6-chloro-2-methylhexa-1,3,4-triene
CID 55301873

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluorohexa-1,2,4-triene?
The IUPAC name of 6-chloro-4-fluorohexa-1,2,4-triene (CID 57264476) is 6-chloro-4-fluorohexa-1,2,4-triene.
What is the SMILES notation for 6-chloro-4-fluorohexa-1,2,4-triene?
The canonical SMILES for 6-chloro-4-fluorohexa-1,2,4-triene is C=C=CC(F)=CCCl.
What is the InChIKey of 6-chloro-4-fluorohexa-1,2,4-triene?
The InChIKey is PFENTXSMRXLXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF/c1-2-3-6(8)4-5-7/h3-4H,1,5H2.
What are the key properties of 6-chloro-4-fluorohexa-1,2,4-triene?
6-chloro-4-fluorohexa-1,2,4-triene has a molecular weight of 132.56 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluorohexa-1,2,4-triene is sourced from PubChem (CID 57264476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).