(1E)-3-chloro-1-fluorohexa-1,5-diene

C6H8ClF — CID 143327832

IUPAC(1E)-3-chloro-1-fluorohexa-1,5-diene
SMILESC=CCC(Cl)/C=C/F
InChIInChI=1S/C6H8ClF/c1-2-3-6(7)4-5-8/h2,4-6H,1,3H2/b5-4+
InChIKeyHJTVZUJBNHIILV-SNAWJCMRSA-N
MW134.58 g/mol
LogP2.65
Rot. Bonds3

About (1E)-3-chloro-1-fluorohexa-1,5-diene

(1E)-3-chloro-1-fluorohexa-1,5-diene (PubChem CID 143327832) has the molecular formula C6H8ClF and a molecular weight of 134.58 g/mol. Its IUPAC name is (1E)-3-chloro-1-fluorohexa-1,5-diene.

Molecular Properties

Compound Name(1E)-3-chloro-1-fluorohexa-1,5-diene
PubChem CID143327832
Molecular FormulaC6H8ClF
Molecular Weight134.58 g/mol
Exact Mass134.03
IUPAC Name(1E)-3-chloro-1-fluorohexa-1,5-diene
SMILESC=CCC(Cl)/C=C/F
InChIInChI=1S/C6H8ClF/c1-2-3-6(7)4-5-8/h2,4-6H,1,3H2/b5-4+
InChIKeyHJTVZUJBNHIILV-SNAWJCMRSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-3-chloro-1-fluorohexa-1,5-diene?
The IUPAC name of (1E)-3-chloro-1-fluorohexa-1,5-diene (CID 143327832) is (1E)-3-chloro-1-fluorohexa-1,5-diene.
What is the SMILES notation for (1E)-3-chloro-1-fluorohexa-1,5-diene?
The canonical SMILES for (1E)-3-chloro-1-fluorohexa-1,5-diene is C=CCC(Cl)/C=C/F.
What is the InChIKey of (1E)-3-chloro-1-fluorohexa-1,5-diene?
The InChIKey is HJTVZUJBNHIILV-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H8ClF/c1-2-3-6(7)4-5-8/h2,4-6H,1,3H2/b5-4+.
What are the key properties of (1E)-3-chloro-1-fluorohexa-1,5-diene?
(1E)-3-chloro-1-fluorohexa-1,5-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 (1E)-3-chloro-1-fluorohexa-1,5-diene is sourced from PubChem (CID 143327832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).