1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene

C16H12F6 — CID 2773232

IUPAC1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
SMILESFC(F)(F)c1ccccc1CCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F6/c17-15(18,19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(20,21)22/h1-8H,9-10H2
InChIKeyOBMDBKNYJGWWJX-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.51
Rot. Bonds3

About 1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene

1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene (PubChem CID 2773232) has the molecular formula C16H12F6 and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
PubChem CID2773232
Molecular FormulaC16H12F6
Molecular Weight318.26 g/mol
Exact Mass318.08
IUPAC Name1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
SMILESFC(F)(F)c1ccccc1CCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F6/c17-15(18,19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(20,21)22/h1-8H,9-10H2
InChIKeyOBMDBKNYJGWWJX-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene
CID 54377530
1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
CID 154703356
propanenitrile;3-[2-(trifluoromethyl)phenyl]propanenitrile
CID 163942227
4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol
CID 64514191
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
1-[2-(trifluoromethyl)phenyl]hexan-3-one
CID 64505702
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
CID 18525982
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene?
The IUPAC name of 1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene (CID 2773232) is 1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene is FC(F)(F)c1ccccc1CCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene?
The InChIKey is OBMDBKNYJGWWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6/c17-15(18,19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(20,21)22/h1-8H,9-10H2.
What are the key properties of 1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene?
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene has a molecular weight of 318.26 g/mol, XLogP of 5.51, 3 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-(trifluoromethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 2773232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).