(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane

C10H14ClF3 — CID 155687691

IUPAC(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane
SMILESC=C/C(=C(/Cl)C(=C)C)C(F)(F)F.CC
InChIInChI=1S/C8H8ClF3.C2H6/c1-4-6(8(10,11)12)7(9)5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b7-6-;
InChIKeyKUSQPIMORAAXFW-NAFXZHHSSA-N
MW226.67 g/mol
LogP4.83
Rot. Bonds2

About (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane

(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane (PubChem CID 155687691) has the molecular formula C10H14ClF3 and a molecular weight of 226.67 g/mol. Its IUPAC name is (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane.

Molecular Properties

Compound Name(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane
PubChem CID155687691
Molecular FormulaC10H14ClF3
Molecular Weight226.67 g/mol
Exact Mass226.07
IUPAC Name(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane
SMILESC=C/C(=C(/Cl)C(=C)C)C(F)(F)F.CC
InChIInChI=1S/C8H8ClF3.C2H6/c1-4-6(8(10,11)12)7(9)5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b7-6-;
InChIKeyKUSQPIMORAAXFW-NAFXZHHSSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 54.83
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

(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene
CID 59014440
1-Chloro-7-fluoro-4,5-dimethylcyclohepta-1,3,5-triene
CID 68267650
(1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene
CID 70320041
6-Chloro-6-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 70484837
(1Z,3Z,8S)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene
CID 71193173
4-(Trifluoromethyl)hepta-2,4-diene
CID 72490263
(1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene
CID 87152714
(3Z)-4-methyl-2-(trifluoromethyl)hexa-1,3,5-triene
CID 87430172
(3Z,5Z)-4-methyl-2-(trifluoromethyl)hepta-1,3,5-triene
CID 87430179
(3Z,5E)-4-chloro-3-fluoro-6-methylocta-1,3,5-triene
CID 88067913
(2Z,4E)-5-(chloromethyl)-6-fluorohepta-2,4-diene
CID 88262685
(3Z,5E)-5-(difluoromethyl)-2,6-dimethylocta-1,3,5-triene
CID 88571347

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane?
The IUPAC name of (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane (CID 155687691) is (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane.
What is the SMILES notation for (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane?
The canonical SMILES for (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane is C=C/C(=C(/Cl)C(=C)C)C(F)(F)F.CC.
What is the InChIKey of (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane?
The InChIKey is KUSQPIMORAAXFW-NAFXZHHSSA-N. The full InChI is InChI=1S/C8H8ClF3.C2H6/c1-4-6(8(10,11)12)7(9)5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b7-6-;.
What are the key properties of (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane?
(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane has a molecular weight of 226.67 g/mol, XLogP of 4.83, 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-methyl-4-(trifluoromethyl)hexa-1,3,5-triene;ethane is sourced from PubChem (CID 155687691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).