1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene

C15H10F4O — CID 11780979

IUPAC1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(F)c(F)c(F)c2)cc1F
InChIInChI=1S/C15H10F4O/c1-20-14-5-4-9(6-11(14)16)2-3-10-7-12(17)15(19)13(18)8-10/h2-8H,1H3/b3-2-
InChIKeyAVJZUVPZSSJOSY-IHWYPQMZSA-N
MW282.24 g/mol
LogP4.42
Rot. Bonds3

About 1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene

1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene (PubChem CID 11780979) has the molecular formula C15H10F4O and a molecular weight of 282.24 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene
PubChem CID11780979
Molecular FormulaC15H10F4O
Molecular Weight282.24 g/mol
Exact Mass282.07
IUPAC Name1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(F)c(F)c(F)c2)cc1F
InChIInChI=1S/C15H10F4O/c1-20-14-5-4-9(6-11(14)16)2-3-10-7-12(17)15(19)13(18)8-10/h2-8H,1H3/b3-2-
InChIKeyAVJZUVPZSSJOSY-IHWYPQMZSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene (CID 11780979) is 1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C\c2cc(F)c(F)c(F)c2)cc1F.
What is the InChIKey of 1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene?
The InChIKey is AVJZUVPZSSJOSY-IHWYPQMZSA-N. The full InChI is InChI=1S/C15H10F4O/c1-20-14-5-4-9(6-11(14)16)2-3-10-7-12(17)15(19)13(18)8-10/h2-8H,1H3/b3-2-.
What are the key properties of 1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene?
1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene has a molecular weight of 282.24 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 11780979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).