(2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride

C8H5Cl2F3O — CID 144572451

IUPAC(2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride
SMILESC=C/C(=C(\C(=C)Cl)C(=O)Cl)C(F)(F)F
InChIInChI=1S/C8H5Cl2F3O/c1-3-5(8(11,12)13)6(4(2)9)7(10)14/h3H,1-2H2/b6-5-
InChIKeyFCTMIQIJTLOMQK-WAYWQWQTSA-N
MW245.03 g/mol
LogP3.55
Rot. Bonds3

About (2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride

(2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride (PubChem CID 144572451) has the molecular formula C8H5Cl2F3O and a molecular weight of 245.03 g/mol. Its IUPAC name is (2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride
PubChem CID144572451
Molecular FormulaC8H5Cl2F3O
Molecular Weight245.03 g/mol
Exact Mass243.97
IUPAC Name(2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride
SMILESC=C/C(=C(\C(=C)Cl)C(=O)Cl)C(F)(F)F
InChIInChI=1S/C8H5Cl2F3O/c1-3-5(8(11,12)13)6(4(2)9)7(10)14/h3H,1-2H2/b6-5-
InChIKeyFCTMIQIJTLOMQK-WAYWQWQTSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,3-Bis(trifluoromethyl)hexa-2,4-dienedioyl dichloride
CID 88720528
4-Chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride
CID 122453517
(2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride
CID 142155109
(2E)-2-[(Z)-1,2-difluoroethenyl]penta-2,4-dienoyl chloride
CID 142265402
2,7-Difluorocyclohepta-1,3,6-triene-1-carbonyl chloride
CID 143055002
(2E)-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride
CID 144274499
(2Z)-2-ethenyl-3-fluoropenta-2,4-dienoyl chloride
CID 144338921
(2E)-2-ethenyl-4-fluoropenta-2,4-dienoyl chloride
CID 144504108
(2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride
CID 144590374
6-(Trifluoromethyl)cyclohepta-1,4,6-triene-1-carbonyl chloride
CID 145586770
(2Z)-3-chloro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride
CID 145696246
(2E,3Z)-3-chloro-2-ethylidene-4-(trifluoromethyl)hexa-3,5-dienoyl chloride
CID 155717362

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride?
The IUPAC name of (2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride (CID 144572451) is (2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride.
What is the SMILES notation for (2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride?
The canonical SMILES for (2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride is C=C/C(=C(\C(=C)Cl)C(=O)Cl)C(F)(F)F.
What is the InChIKey of (2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride?
The InChIKey is FCTMIQIJTLOMQK-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H5Cl2F3O/c1-3-5(8(11,12)13)6(4(2)9)7(10)14/h3H,1-2H2/b6-5-.
What are the key properties of (2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride?
(2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride has a molecular weight of 245.03 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride is sourced from PubChem (CID 144572451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).