1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene

C17H14F6 — CID 89021612

IUPAC1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
SMILESCCC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F6/c1-2-15(11-3-7-13(8-4-11)16(18,19)20)12-5-9-14(10-6-12)17(21,22)23/h3-10,15H,2H2,1H3
InChIKeyZGRHEFMTRYSKHD-UHFFFAOYSA-N
MW332.29 g/mol
LogP6.27
Rot. Bonds3

About 1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene

1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene (PubChem CID 89021612) has the molecular formula C17H14F6 and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
PubChem CID89021612
Molecular FormulaC17H14F6
Molecular Weight332.29 g/mol
Exact Mass332.10
IUPAC Name1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
SMILESCCC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F6/c1-2-15(11-3-7-13(8-4-11)16(18,19)20)12-5-9-14(10-6-12)17(21,22)23/h3-10,15H,2H2,1H3
InChIKeyZGRHEFMTRYSKHD-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871
2-[4-(trifluoromethyl)phenyl]butanenitrile
CID 66855883
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 43566144
N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 143698340
3-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 63196921
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533
2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 68775083
(1S)-2-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 171231162
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene?
The IUPAC name of 1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene (CID 89021612) is 1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene?
The canonical SMILES for 1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene is CCC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene?
The InChIKey is ZGRHEFMTRYSKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6/c1-2-15(11-3-7-13(8-4-11)16(18,19)20)12-5-9-14(10-6-12)17(21,22)23/h3-10,15H,2H2,1H3.
What are the key properties of 1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene?
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene has a molecular weight of 332.29 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene is sourced from PubChem (CID 89021612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).