1-(2-phenylethyl)-4-(trifluoromethoxy)benzene

C15H13F3O — CID 91341581

IUPAC1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C15H13F3O/c16-15(17,18)19-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2
InChIKeyPEYDZBIZKKKKAD-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.37
Rot. Bonds4

About 1-(2-phenylethyl)-4-(trifluoromethoxy)benzene

1-(2-phenylethyl)-4-(trifluoromethoxy)benzene (PubChem CID 91341581) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
PubChem CID91341581
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C15H13F3O/c16-15(17,18)19-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2
InChIKeyPEYDZBIZKKKKAD-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-phenylethyl)-4-(trifluoromethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
trifluoromethoxybenzene
CID 157402708
benzyl 3-[4-(trifluoromethoxy)phenyl]propanoate
CID 145346373
N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline
CID 91523939
trifluoromethoxybenzene fluoride
CID 158305019
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium
CID 10673816
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
1-bromo-4-[4-[4-(trifluoromethoxy)phenyl]butyl]benzene
CID 90901718
benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine
CID 159253031
triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide
CID 22407658
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-(2-phenylethyl)-4-(trifluoromethoxy)benzene (CID 91341581) is 1-(2-phenylethyl)-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(2-phenylethyl)-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(2-phenylethyl)-4-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-4-(trifluoromethoxy)benzene?
The InChIKey is PEYDZBIZKKKKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c16-15(17,18)19-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2.
What are the key properties of 1-(2-phenylethyl)-4-(trifluoromethoxy)benzene?
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene has a molecular weight of 266.26 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 91341581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).