(2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene

C10H12ClF3O — CID 89265303

IUPAC(2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene
SMILESC/C=C\C(=C/C(Cl)=C/C)OCC(F)(F)F
InChIInChI=1S/C10H12ClF3O/c1-3-5-9(6-8(11)4-2)15-7-10(12,13)14/h3-6H,7H2,1-2H3/b5-3-,8-4-,9-6+
InChIKeyROBPBWDREWARNO-UWXVWKBMSA-N
MW240.65 g/mol
LogP4.17
Rot. Bonds4

About (2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene

(2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene (PubChem CID 89265303) has the molecular formula C10H12ClF3O and a molecular weight of 240.65 g/mol. Its IUPAC name is (2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene
PubChem CID89265303
Molecular FormulaC10H12ClF3O
Molecular Weight240.65 g/mol
Exact Mass240.05
IUPAC Name(2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene
SMILESC/C=C\C(=C/C(Cl)=C/C)OCC(F)(F)F
InChIInChI=1S/C10H12ClF3O/c1-3-5-9(6-8(11)4-2)15-7-10(12,13)14/h3-6H,7H2,1-2H3/b5-3-,8-4-,9-6+
InChIKeyROBPBWDREWARNO-UWXVWKBMSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6Z)-3-chloro-5-heptan-4-yloxyocta-2,4,6-triene
CID 143502793
(3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
CID 144927287
(1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
CID 143345542
2,2,2-trifluoroethyl (2E,4E)-hexa-2,4-dienoate
CID 101257475
bis(2,2,2-trifluoroethyl) (Z)-but-2-enedioate
CID 5462778
4-chloro-1,1,1,2-tetrafluorohexa-2,4-diene
CID 174983751
2,2,2-trifluoroethyl 4-chloro-4-oxobutanoate
CID 90333001
2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene
CID 88576082
(E)-1-(2,2,2-trifluoroethoxy)but-2-ene
CID 102170359
2,2,2-trifluoroethyl 2-chloro-2-oxoacetate
CID 18939209
(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
CID 156533724
2,2,2-trifluoroethyl (Z)-3-aminobut-2-enoate
CID 19107499

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene?
The IUPAC name of (2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene (CID 89265303) is (2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene?
The canonical SMILES for (2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene is C/C=C\C(=C/C(Cl)=C/C)OCC(F)(F)F.
What is the InChIKey of (2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene?
The InChIKey is ROBPBWDREWARNO-UWXVWKBMSA-N. The full InChI is InChI=1S/C10H12ClF3O/c1-3-5-9(6-8(11)4-2)15-7-10(12,13)14/h3-6H,7H2,1-2H3/b5-3-,8-4-,9-6+.
What are the key properties of (2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene?
(2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene has a molecular weight of 240.65 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-3-chloro-5-(2,2,2-trifluoroethoxy)octa-2,4,6-triene is sourced from PubChem (CID 89265303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).