(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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Related Compounds

1,1,2-trifluoro-3-methylbuta-1,3-diene
CID 18520937
3-chloro-2,4-dimethylpenta-1,3-diene
CID 13275142
(3E)-3-chloro-2-fluoropenta-1,3-diene
CID 143057342
3-fluorobut-3-en-2-one
CID 158766969
(2E,4Z)-4-chloro-5-fluoro-N,2-dimethyl-3-prop-1-en-2-ylhepta-2,4,6-trien-1-imine;ethane
CID 176951443
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
(3Z)-2,3,4-trifluoro-6-methylhepta-1,3,5-triene
CID 138600240
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
fluoromethane;1,1,2,2-tetrachloroethene
CID 174399614
(Z)-2-chloro-1-fluoroprop-1-en-1-ol
CID 173270736
2-fluoro-4-methylpenta-1,3-dien-3-amine
CID 162681971

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).