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

C14H18ClF3O — CID 103211115

IUPAC2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene
SMILESCCc1ccc(CC)c(C(Cl)COCC(F)(F)F)c1
InChIInChI=1S/C14H18ClF3O/c1-3-10-5-6-11(4-2)12(7-10)13(15)8-19-9-14(16,17)18/h5-7,13H,3-4,8-9H2,1-2H3
InChIKeyGGWIXNOCLNLAIC-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.67
Rot. Bonds6

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

2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene (PubChem CID 103211115) has the molecular formula C14H18ClF3O and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene.

Molecular Properties

Compound Name2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene
PubChem CID103211115
Molecular FormulaC14H18ClF3O
Molecular Weight294.74 g/mol
Exact Mass294.10
IUPAC Name2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene
SMILESCCc1ccc(CC)c(C(Cl)COCC(F)(F)F)c1
InChIInChI=1S/C14H18ClF3O/c1-3-10-5-6-11(4-2)12(7-10)13(15)8-19-9-14(16,17)18/h5-7,13H,3-4,8-9H2,1-2H3
InChIKeyGGWIXNOCLNLAIC-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.67
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-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene
CID 103210637
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216652
2-(1-bromo-2,2,3,3-tetrafluoropropyl)-1,4-diethylbenzene
CID 79659672
2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene
CID 82987639
methyl 2-[2-(1-chloro-2-oxopropyl)-4-ethylphenyl]acetate
CID 165350214
1-chloro-4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]benzene
CID 103210534
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492
2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene
CID 81461295
4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene
CID 143778642
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585
2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene
CID 107958899

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene?
The IUPAC name of 2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene (CID 103211115) is 2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene.
What is the SMILES notation for 2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene?
The canonical SMILES for 2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene is CCc1ccc(CC)c(C(Cl)COCC(F)(F)F)c1.
What is the InChIKey of 2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene?
The InChIKey is GGWIXNOCLNLAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3O/c1-3-10-5-6-11(4-2)12(7-10)13(15)8-19-9-14(16,17)18/h5-7,13H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene?
2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene has a molecular weight of 294.74 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene is sourced from PubChem (CID 103211115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).