1-benzyl-4-(2,2,2-trifluoroethyl)benzene

C15H13F3 — CID 172715361

IUPAC1-benzyl-4-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H13F3/c16-15(17,18)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyFUFZELCKRAPZDL-UHFFFAOYSA-N
MW250.26 g/mol
LogP4.38
Rot. Bonds3

About 1-benzyl-4-(2,2,2-trifluoroethyl)benzene

1-benzyl-4-(2,2,2-trifluoroethyl)benzene (PubChem CID 172715361) has the molecular formula C15H13F3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-benzyl-4-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-benzyl-4-(2,2,2-trifluoroethyl)benzene
PubChem CID172715361
Molecular FormulaC15H13F3
Molecular Weight250.26 g/mol
Exact Mass250.10
IUPAC Name1-benzyl-4-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H13F3/c16-15(17,18)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyFUFZELCKRAPZDL-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2,2,2-trifluoroethylbenzene
CID 142152613
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene
CID 122231581
N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
CID 142549273
phenyl(113C)methylbenzene
CID 11194569
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
1,4-bis(4-benzylphenyl)benzene
CID 58251041
(2-fluoro-2-methylpropyl)benzene
CID 14343442
potassium;benzylbenzene;hydride
CID 173011788

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-benzyl-4-(2,2,2-trifluoroethyl)benzene (CID 172715361) is 1-benzyl-4-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-benzyl-4-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-benzyl-4-(2,2,2-trifluoroethyl)benzene is FC(F)(F)Cc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-(2,2,2-trifluoroethyl)benzene?
The InChIKey is FUFZELCKRAPZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3/c16-15(17,18)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 1-benzyl-4-(2,2,2-trifluoroethyl)benzene?
1-benzyl-4-(2,2,2-trifluoroethyl)benzene has a molecular weight of 250.26 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 172715361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).