(3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene

C7H7ClF2 — CID 144827256

IUPAC(3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene
SMILESC=C(C)/C(F)=C(/Cl)C(=C)F
InChIInChI=1S/C7H7ClF2/c1-4(2)7(10)6(8)5(3)9/h1,3H2,2H3/b7-6-
InChIKeyZSHKLBLODZLPKD-SREVYHEPSA-N
MW164.58 g/mol
LogP3.47
Rot. Bonds2

About (3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene

(3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene (PubChem CID 144827256) has the molecular formula C7H7ClF2 and a molecular weight of 164.58 g/mol. Its IUPAC name is (3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene
PubChem CID144827256
Molecular FormulaC7H7ClF2
Molecular Weight164.58 g/mol
Exact Mass164.02
IUPAC Name(3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene
SMILESC=C(C)/C(F)=C(/Cl)C(=C)F
InChIInChI=1S/C7H7ClF2/c1-4(2)7(10)6(8)5(3)9/h1,3H2,2H3/b7-6-
InChIKeyZSHKLBLODZLPKD-SREVYHEPSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.58
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene?
The IUPAC name of (3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene (CID 144827256) is (3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene.
What is the SMILES notation for (3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene?
The canonical SMILES for (3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene is C=C(C)/C(F)=C(/Cl)C(=C)F.
What is the InChIKey of (3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene?
The InChIKey is ZSHKLBLODZLPKD-SREVYHEPSA-N. The full InChI is InChI=1S/C7H7ClF2/c1-4(2)7(10)6(8)5(3)9/h1,3H2,2H3/b7-6-.
What are the key properties of (3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene?
(3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene has a molecular weight of 164.58 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene is sourced from PubChem (CID 144827256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).