(2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene

C7H8ClF3 — CID 88884809

IUPAC(2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene
SMILESC/C=C\C(=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C7H8ClF3/c1-3-4-6(5(2)8)7(9,10)11/h3-4H,1-2H3/b4-3-,6-5-
InChIKeyGCGLETDNBIBFTA-OUPQRBNQSA-N
MW184.59 g/mol
LogP3.64
Rot. Bonds1

About (2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene

(2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene (PubChem CID 88884809) has the molecular formula C7H8ClF3 and a molecular weight of 184.59 g/mol. Its IUPAC name is (2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene
PubChem CID88884809
Molecular FormulaC7H8ClF3
Molecular Weight184.59 g/mol
Exact Mass184.03
IUPAC Name(2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene
SMILESC/C=C\C(=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C7H8ClF3/c1-3-4-6(5(2)8)7(9,10)11/h3-4H,1-2H3/b4-3-,6-5-
InChIKeyGCGLETDNBIBFTA-OUPQRBNQSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 53.64
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

4-Methyl-2-trifluoromethylpentadiene
CID 90166011
2-Chloro-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 21837064
(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene
CID 59014440
3-(Trifluoromethyl)hexa-2,4-diene
CID 59906048
(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 59944779
(1Z,3Z)-5-chloro-5,8-dimethyl-8-(trifluoromethyl)cycloocta-1,3,6-triene
CID 70320041
(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
3-(Trifluoromethyl)hexa-1,3-diene
CID 86011023
(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

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene?
The IUPAC name of (2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene (CID 88884809) is (2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene.
What is the SMILES notation for (2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene?
The canonical SMILES for (2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene is C/C=C\C(=C(/C)Cl)C(F)(F)F.
What is the InChIKey of (2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene?
The InChIKey is GCGLETDNBIBFTA-OUPQRBNQSA-N. The full InChI is InChI=1S/C7H8ClF3/c1-3-4-6(5(2)8)7(9,10)11/h3-4H,1-2H3/b4-3-,6-5-.
What are the key properties of (2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene?
(2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene has a molecular weight of 184.59 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-chloro-3-(trifluoromethyl)hexa-2,4-diene is sourced from PubChem (CID 88884809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).