1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene

C16H15F3 — CID 57169339

IUPAC1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene
SMILESCCc1cccc(C(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C16H15F3/c1-2-12-7-6-10-14(11-12)15(16(17,18)19)13-8-4-3-5-9-13/h3-11,15H,2H2,1H3
InChIKeyHDZIKAQMADJELP-UHFFFAOYSA-N
MW264.29 g/mol
LogP4.94
Rot. Bonds3

About 1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene

1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene (PubChem CID 57169339) has the molecular formula C16H15F3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene.

Molecular Properties

Compound Name1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene
PubChem CID57169339
Molecular FormulaC16H15F3
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene
SMILESCCc1cccc(C(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C16H15F3/c1-2-12-7-6-10-14(11-12)15(16(17,18)19)13-8-4-3-5-9-13/h3-11,15H,2H2,1H3
InChIKeyHDZIKAQMADJELP-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-ethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312595
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
acetaldehyde;benzene;(2,2,2-trifluoro-1-phenylethyl)benzene;hydrofluoride
CID 164965111
1-butan-2-yl-3-ethylbenzene
CID 528681
[2-chloro-1-(3-ethylphenyl)-2,2-difluoroethyl]hydrazine
CID 105265335
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115823932
1-(2,2-dimethylhexan-3-yl)-3-ethylbenzene
CID 59692082
1-(3-ethylphenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
CID 156763031
ethylcyclodecapentaene
CID 90861705
2-ethyl-1-(3-ethylphenyl)butan-1-amine
CID 105018813

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene?
The IUPAC name of 1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene (CID 57169339) is 1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene.
What is the SMILES notation for 1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene?
The canonical SMILES for 1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene is CCc1cccc(C(c2ccccc2)C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene?
The InChIKey is HDZIKAQMADJELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3/c1-2-12-7-6-10-14(11-12)15(16(17,18)19)13-8-4-3-5-9-13/h3-11,15H,2H2,1H3.
What are the key properties of 1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene?
1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene has a molecular weight of 264.29 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene is sourced from PubChem (CID 57169339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).