1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene

C11H9F3 — CID 138978580

IUPAC1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene
SMILESC/C=C/C=C/c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H9F3/c1-2-3-4-5-8-6-9(12)11(14)10(13)7-8/h2-7H,1H3/b3-2+,5-4+
InChIKeyJDXLWOIBBDOQDI-MQQKCMAXSA-N
MW198.19 g/mol
LogP3.69
Rot. Bonds2

About 1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene

1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene (PubChem CID 138978580) has the molecular formula C11H9F3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene
PubChem CID138978580
Molecular FormulaC11H9F3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene
SMILESC/C=C/C=C/c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H9F3/c1-2-3-4-5-8-6-9(12)11(14)10(13)7-8/h2-7H,1H3/b3-2+,5-4+
InChIKeyJDXLWOIBBDOQDI-MQQKCMAXSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methyl-4-(3,4,5-trifluorophenyl)but-3-en-2-amine
CID 103092004
3-(3,4,5-trifluorophenyl)prop-2-en-1-ol
CID 79334205
3-(3,4-difluoro-5-methoxyphenyl)prop-2-enal
CID 169459337
2-[(1E,3E)-penta-1,3-dienyl]naphthalene
CID 135079977
(E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide
CID 75480899
5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene
CID 19039041
5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal
CID 155487828
4-(3,4,5-trifluorophenyl)but-3-enoic acid
CID 170483384
(E)-3-(3,5-difluoro-4-methoxyphenyl)prop-2-enal
CID 145218910
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
3,4,5-trifluorophenol
CID 2777943
1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene
CID 175734121

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene (CID 138978580) is 1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene is C/C=C/C=C/c1cc(F)c(F)c(F)c1.
What is the InChIKey of 1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene?
The InChIKey is JDXLWOIBBDOQDI-MQQKCMAXSA-N. The full InChI is InChI=1S/C11H9F3/c1-2-3-4-5-8-6-9(12)11(14)10(13)7-8/h2-7H,1H3/b3-2+,5-4+.
What are the key properties of 1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene?
1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene has a molecular weight of 198.19 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene is sourced from PubChem (CID 138978580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).