2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene

C14H8ClF9 — CID 163683256

IUPAC2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene
SMILESC=C(/C=C(/Cc1cc(C(F)(F)F)ccc1Cl)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H8ClF9/c1-7(12(16,17)18)4-10(14(22,23)24)6-8-5-9(13(19,20)21)2-3-11(8)15/h2-5H,1,6H2/b10-4-
InChIKeyJMPWGQOOSYHFCX-WMZJFQQLSA-N
MW382.65 g/mol
LogP6.51
Rot. Bonds3

About 2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene

2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene (PubChem CID 163683256) has the molecular formula C14H8ClF9 and a molecular weight of 382.65 g/mol. Its IUPAC name is 2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene
PubChem CID163683256
Molecular FormulaC14H8ClF9
Molecular Weight382.65 g/mol
Exact Mass382.02
IUPAC Name2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene
SMILESC=C(/C=C(/Cc1cc(C(F)(F)F)ccc1Cl)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H8ClF9/c1-7(12(16,17)18)4-10(14(22,23)24)6-8-5-9(13(19,20)21)2-3-11(8)15/h2-5H,1,6H2/b10-4-
InChIKeyJMPWGQOOSYHFCX-WMZJFQQLSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.65
LogP ≤ 56.51
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

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potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
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1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
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[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonate
CID 59623726
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride
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3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
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CID 82297621
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide
CID 118168683
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine
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CID 171229179

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene?
The IUPAC name of 2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene (CID 163683256) is 2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene is C=C(/C=C(/Cc1cc(C(F)(F)F)ccc1Cl)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene?
The InChIKey is JMPWGQOOSYHFCX-WMZJFQQLSA-N. The full InChI is InChI=1S/C14H8ClF9/c1-7(12(16,17)18)4-10(14(22,23)24)6-8-5-9(13(19,20)21)2-3-11(8)15/h2-5H,1,6H2/b10-4-.
What are the key properties of 2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene?
2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene has a molecular weight of 382.65 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 163683256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).