1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene

C17H11F7O — CID 148884492

IUPAC1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
SMILESCOc1ccccc1/C=C(/F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11F7O/c1-25-15-5-3-2-4-10(15)8-14(18)11-6-12(16(19,20)21)9-13(7-11)17(22,23)24/h2-9H,1H3/b14-8+
InChIKeyPDSHIXOMWUNLPA-RIYZIHGNSA-N
MW364.26 g/mol
LogP6.20
Rot. Bonds3

About 1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene

1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene (PubChem CID 148884492) has the molecular formula C17H11F7O and a molecular weight of 364.26 g/mol. Its IUPAC name is 1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
PubChem CID148884492
Molecular FormulaC17H11F7O
Molecular Weight364.26 g/mol
Exact Mass364.07
IUPAC Name1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
SMILESCOc1ccccc1/C=C(/F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11F7O/c1-25-15-5-3-2-4-10(15)8-14(18)11-6-12(16(19,20)21)9-13(7-11)17(22,23)24/h2-9H,1H3/b14-8+
InChIKeyPDSHIXOMWUNLPA-RIYZIHGNSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate
CID 146798772
1-[(E)-2-fluorobut-1-en-3-ynyl]-2-methoxybenzene
CID 71504864
[3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane
CID 140618175
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
[2-(2-methoxyphenyl)-1-trimethylsilylethenyl]-trimethylsilane
CID 102296582
(2E,3E)-2,3-bis[(2-methoxyphenyl)methylidene]butanedial
CID 87977206
methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate
CID 10867868
(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile
CID 101032566
1-[(1E,3E)-2,3-diisocyano-4-(2-methoxyphenyl)buta-1,3-dienyl]-2-methoxybenzene
CID 86626449
5-methoxy-3-(trifluoromethyl)naphthalen-1-ol
CID 90487582
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137031731
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene (CID 148884492) is 1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene is COc1ccccc1/C=C(/F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene?
The InChIKey is PDSHIXOMWUNLPA-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H11F7O/c1-25-15-5-3-2-4-10(15)8-14(18)11-6-12(16(19,20)21)9-13(7-11)17(22,23)24/h2-9H,1H3/b14-8+.
What are the key properties of 1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene?
1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene has a molecular weight of 364.26 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 148884492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).