1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate

C7H11Cl3O4 — CID 90948172

IUPAC1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate
SMILESCC(OC=O)OCCOCC(Cl)(Cl)Cl
InChIInChI=1S/C7H11Cl3O4/c1-6(14-5-11)13-3-2-12-4-7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyQTVTUKMBCLWERN-UHFFFAOYSA-N
MW265.52 g/mol
LogP1.91
Rot. Bonds7

About 1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate

1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate (PubChem CID 90948172) has the molecular formula C7H11Cl3O4 and a molecular weight of 265.52 g/mol. Its IUPAC name is 1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate.

Molecular Properties

Compound Name1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate
PubChem CID90948172
Molecular FormulaC7H11Cl3O4
Molecular Weight265.52 g/mol
Exact Mass263.97
IUPAC Name1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate
SMILESCC(OC=O)OCCOCC(Cl)(Cl)Cl
InChIInChI=1S/C7H11Cl3O4/c1-6(14-5-11)13-3-2-12-4-7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyQTVTUKMBCLWERN-UHFFFAOYSA-N
XLogP1.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.52
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-hexoxyethoxy)ethyl formate
CID 173130576
1-(3-methylbutoxy)ethyl formate
CID 173200690
2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate
CID 139655550
2-(1-formyloxyethoxy)ethyl adamantane-1-carboxylate
CID 21083076
2-(1-formyloxyethoxy)acetic acid
CID 88859959
2-methyl-1-(2,2,2-trichloroethoxy)propane
CID 138495364
[(E)-2-[1-(2-ethoxyethoxy)ethoxy]ethenyl]-dimethylsilane
CID 173097551
1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate
CID 176704831
3-(2-propan-2-yloxyethoxy)propanal
CID 63040405
1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
CID 54403721
2-[2-[2-[2-(1-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 174649038
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate?
The IUPAC name of 1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate (CID 90948172) is 1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate.
What is the SMILES notation for 1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate?
The canonical SMILES for 1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate is CC(OC=O)OCCOCC(Cl)(Cl)Cl.
What is the InChIKey of 1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate?
The InChIKey is QTVTUKMBCLWERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl3O4/c1-6(14-5-11)13-3-2-12-4-7(8,9)10/h5-6H,2-4H2,1H3.
What are the key properties of 1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate?
1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate has a molecular weight of 265.52 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate is sourced from PubChem (CID 90948172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).