1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene

C17H16ClF3 — CID 63431717

IUPAC1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
SMILESCCc1ccc(C(Cl)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16ClF3/c1-2-12-3-7-14(8-4-12)16(18)11-13-5-9-15(10-6-13)17(19,20)21/h3-10,16H,2,11H2,1H3
InChIKeyYZHCXIVGOKNYBO-UHFFFAOYSA-N
MW312.76 g/mol
LogP5.79
Rot. Bonds4

About 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene

1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene (PubChem CID 63431717) has the molecular formula C17H16ClF3 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
PubChem CID63431717
Molecular FormulaC17H16ClF3
Molecular Weight312.76 g/mol
Exact Mass312.09
IUPAC Name1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
SMILESCCc1ccc(C(Cl)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16ClF3/c1-2-12-3-7-14(8-4-12)16(18)11-13-5-9-15(10-6-13)17(19,20)21/h3-10,16H,2,11H2,1H3
InChIKeyYZHCXIVGOKNYBO-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.76
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55197752
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene
CID 103210637
1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115823932
4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine
CID 66459574
1-bromo-3-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-5-fluorobenzene
CID 63542506
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
1-[2-(1-chloroethyl)-3-methylbutyl]-4-(trifluoromethyl)benzene
CID 63472261

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene (CID 63431717) is 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene is CCc1ccc(C(Cl)Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene?
The InChIKey is YZHCXIVGOKNYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3/c1-2-12-3-7-14(8-4-12)16(18)11-13-5-9-15(10-6-13)17(19,20)21/h3-10,16H,2,11H2,1H3.
What are the key properties of 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene?
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene has a molecular weight of 312.76 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 63431717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).