1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene

C17H15F3 — CID 166438756

IUPAC1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene
SMILESCC(C)=C(c1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C17H15F3/c1-12(2)16(17(18,19)20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyUCNYSTWCCGGHJU-UHFFFAOYSA-N
MW276.30 g/mol
LogP5.71
Rot. Bonds2

About 1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene

1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene (PubChem CID 166438756) has the molecular formula C17H15F3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene.

Molecular Properties

Compound Name1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene
PubChem CID166438756
Molecular FormulaC17H15F3
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene
SMILESCC(C)=C(c1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C17H15F3/c1-12(2)16(17(18,19)20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyUCNYSTWCCGGHJU-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.30
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene?
The IUPAC name of 1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene (CID 166438756) is 1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene.
What is the SMILES notation for 1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene?
The canonical SMILES for 1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene is CC(C)=C(c1ccc(-c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene?
The InChIKey is UCNYSTWCCGGHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3/c1-12(2)16(17(18,19)20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene?
1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene has a molecular weight of 276.30 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene is sourced from PubChem (CID 166438756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).