1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene

C17H14F6 — CID 91450508

IUPAC1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene
SMILESFC(F)(F)Cc1ccccc1C(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C17H14F6/c18-16(19,20)11-13-8-4-5-9-14(13)15(17(21,22)23)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyHJBPINSGIKKWPM-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.68
Rot. Bonds4

About 1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene

1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene (PubChem CID 91450508) has the molecular formula C17H14F6 and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene
PubChem CID91450508
Molecular FormulaC17H14F6
Molecular Weight332.29 g/mol
Exact Mass332.10
IUPAC Name1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene
SMILESFC(F)(F)Cc1ccccc1C(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C17H14F6/c18-16(19,20)11-13-8-4-5-9-14(13)15(17(21,22)23)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyHJBPINSGIKKWPM-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene (CID 91450508) is 1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene is FC(F)(F)Cc1ccccc1C(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene?
The InChIKey is HJBPINSGIKKWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6/c18-16(19,20)11-13-8-4-5-9-14(13)15(17(21,22)23)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene?
1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene has a molecular weight of 332.29 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene is sourced from PubChem (CID 91450508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).