1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene

C15H10F6 — CID 91336792

IUPAC1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene
SMILESFC(F)(F)c1ccccc1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H10F6/c16-14(17,18)12-9-5-4-8-11(12)13(15(19,20)21)10-6-2-1-3-7-10/h1-9,13H
InChIKeyFPTKBUUNFIIUTE-UHFFFAOYSA-N
MW304.23 g/mol
LogP5.40
Rot. Bonds2

About 1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene

1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene (PubChem CID 91336792) has the molecular formula C15H10F6 and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene
PubChem CID91336792
Molecular FormulaC15H10F6
Molecular Weight304.23 g/mol
Exact Mass304.07
IUPAC Name1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene
SMILESFC(F)(F)c1ccccc1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H10F6/c16-14(17,18)12-9-5-4-8-11(12)13(15(19,20)21)10-6-2-1-3-7-10/h1-9,13H
InChIKeyFPTKBUUNFIIUTE-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.23
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
2-amino-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62717974
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 116772777
2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853891
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
CID 162539234
1-(1-bromoethyl)-2-(trifluoromethyl)benzene
CID 2775621
3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 70428934
acetaldehyde;benzene;(2,2,2-trifluoro-1-phenylethyl)benzene;hydrofluoride
CID 164965111

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene?
The IUPAC name of 1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene (CID 91336792) is 1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene.
What is the SMILES notation for 1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene?
The canonical SMILES for 1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene is FC(F)(F)c1ccccc1C(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene?
The InChIKey is FPTKBUUNFIIUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6/c16-14(17,18)12-9-5-4-8-11(12)13(15(19,20)21)10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of 1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene?
1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene has a molecular weight of 304.23 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene is sourced from PubChem (CID 91336792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).