2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene

C16H12F4 — CID 126636758

IUPAC2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene
SMILESC=Cc1cc(C(F)(F)F)ccc1Cc1ccc(F)cc1
InChIInChI=1S/C16H12F4/c1-2-12-10-14(16(18,19)20)6-5-13(12)9-11-3-7-15(17)8-4-11/h2-8,10H,1,9H2
InChIKeyOOYVOLXOQFTPDU-UHFFFAOYSA-N
MW280.26 g/mol
LogP5.08
Rot. Bonds3

About 2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene

2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene (PubChem CID 126636758) has the molecular formula C16H12F4 and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene
PubChem CID126636758
Molecular FormulaC16H12F4
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC Name2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene
SMILESC=Cc1cc(C(F)(F)F)ccc1Cc1ccc(F)cc1
InChIInChI=1S/C16H12F4/c1-2-12-10-14(16(18,19)20)6-5-13(12)9-11-3-7-15(17)8-4-11/h2-8,10H,1,9H2
InChIKeyOOYVOLXOQFTPDU-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.26
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene (CID 126636758) is 2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene is C=Cc1cc(C(F)(F)F)ccc1Cc1ccc(F)cc1.
What is the InChIKey of 2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene?
The InChIKey is OOYVOLXOQFTPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4/c1-2-12-10-14(16(18,19)20)6-5-13(12)9-11-3-7-15(17)8-4-11/h2-8,10H,1,9H2.
What are the key properties of 2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene?
2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene has a molecular weight of 280.26 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 126636758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).