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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Related Compounds

1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene
CID 11747812
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
2,2,2-trifluoro-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 1136936
1-(1-fluoroprop-1-en-2-yl)-4-phenylbenzene
CID 134863084
(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
CID 102368693
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
[(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene
CID 10825346
1,1-difluoro-1-(4-phenylphenyl)propan-2-one
CID 71022279
[(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene
CID 11025526
[(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene
CID 10729195
phenyl-(4-phenylphenyl)methanone
CID 155775877
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371

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).