1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene

C12H14ClF3O — CID 103210637

IUPAC1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene
SMILESCCc1ccc(C(Cl)COCC(F)(F)F)cc1
InChIInChI=1S/C12H14ClF3O/c1-2-9-3-5-10(6-4-9)11(13)7-17-8-12(14,15)16/h3-6,11H,2,7-8H2,1H3
InChIKeyZNUIKZSDUHSHSD-UHFFFAOYSA-N
MW266.69 g/mol
LogP4.11
Rot. Bonds5

About 1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene

1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene (PubChem CID 103210637) has the molecular formula C12H14ClF3O and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene
PubChem CID103210637
Molecular FormulaC12H14ClF3O
Molecular Weight266.69 g/mol
Exact Mass266.07
IUPAC Name1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene
SMILESCCc1ccc(C(Cl)COCC(F)(F)F)cc1
InChIInChI=1S/C12H14ClF3O/c1-2-9-3-5-10(6-4-9)11(13)7-17-8-12(14,15)16/h3-6,11H,2,7-8H2,1H3
InChIKeyZNUIKZSDUHSHSD-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene
CID 103210534
2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene
CID 103211115
1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216652
1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 55096279
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63431717
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962007
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842
1-(4-ethylphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82788200
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207062
7-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 103211141
1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55197752

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene?
The IUPAC name of 1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene (CID 103210637) is 1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene.
What is the SMILES notation for 1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene?
The canonical SMILES for 1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene is CCc1ccc(C(Cl)COCC(F)(F)F)cc1.
What is the InChIKey of 1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene?
The InChIKey is ZNUIKZSDUHSHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3O/c1-2-9-3-5-10(6-4-9)11(13)7-17-8-12(14,15)16/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene?
1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene has a molecular weight of 266.69 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene is sourced from PubChem (CID 103210637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).