1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene

C16H9F7 — CID 175767255

IUPAC1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
SMILESFc1cccc(C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H9F7/c17-14-3-1-2-10(8-14)4-5-11-6-12(15(18,19)20)9-13(7-11)16(21,22)23/h1-9H
InChIKeyYIXODFAXQFDGFU-UHFFFAOYSA-N
MW334.23 g/mol
LogP6.03
Rot. Bonds2

About 1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene

1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene (PubChem CID 175767255) has the molecular formula C16H9F7 and a molecular weight of 334.23 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
PubChem CID175767255
Molecular FormulaC16H9F7
Molecular Weight334.23 g/mol
Exact Mass334.06
IUPAC Name1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
SMILESFc1cccc(C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H9F7/c17-14-3-1-2-10(8-14)4-5-11-6-12(15(18,19)20)9-13(7-11)16(21,22)23/h1-9H
InChIKeyYIXODFAXQFDGFU-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.23
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476262
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 44563802
5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 75071270
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
CID 165485333
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
CID 141309127
2-[2-(3-fluorophenyl)ethenyl]naphthalene
CID 68615723
4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-N,N-bis[4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]aniline
CID 59858823
4-[(E)-2-(3-fluorophenyl)ethenyl]benzoic acid
CID 170326010
1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene
CID 12604148

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene (CID 175767255) is 1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene is Fc1cccc(C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene?
The InChIKey is YIXODFAXQFDGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F7/c17-14-3-1-2-10(8-14)4-5-11-6-12(15(18,19)20)9-13(7-11)16(21,22)23/h1-9H.
What are the key properties of 1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene?
1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene has a molecular weight of 334.23 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 175767255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).