2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol

C7H13Cl2F3O3 — CID 22359614

IUPAC2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol
SMILESCC(Cl)C(Cl)OCCO.OCC(F)(F)F
InChIInChI=1S/C5H10Cl2O2.C2H3F3O/c1-4(6)5(7)9-3-2-8;3-2(4,5)1-6/h4-5,8H,2-3H2,1H3;6H,1H2
InChIKeyVYQIEBVGUQECPJ-UHFFFAOYSA-N
MW273.08 g/mol
LogP1.73
Rot. Bonds4

About 2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol

2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol (PubChem CID 22359614) has the molecular formula C7H13Cl2F3O3 and a molecular weight of 273.08 g/mol. Its IUPAC name is 2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol.

Molecular Properties

Compound Name2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol
PubChem CID22359614
Molecular FormulaC7H13Cl2F3O3
Molecular Weight273.08 g/mol
Exact Mass272.02
IUPAC Name2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol
SMILESCC(Cl)C(Cl)OCCO.OCC(F)(F)F
InChIInChI=1S/C5H10Cl2O2.C2H3F3O/c1-4(6)5(7)9-3-2-8;3-2(4,5)1-6/h4-5,8H,2-3H2,1H3;6H,1H2
InChIKeyVYQIEBVGUQECPJ-UHFFFAOYSA-N
XLogP1.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-[1-[1-(2-chloroethoxy)ethoxy]ethoxy]ethanol
CID 88699354
2-[(2S)-3-methylpentan-2-yl]oxyethanol
CID 91428626
2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
CID 156562872
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CID 168837690

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol?
The IUPAC name of 2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol (CID 22359614) is 2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol.
What is the SMILES notation for 2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol?
The canonical SMILES for 2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol is CC(Cl)C(Cl)OCCO.OCC(F)(F)F.
What is the InChIKey of 2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol?
The InChIKey is VYQIEBVGUQECPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O2.C2H3F3O/c1-4(6)5(7)9-3-2-8;3-2(4,5)1-6/h4-5,8H,2-3H2,1H3;6H,1H2.
What are the key properties of 2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol?
2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol has a molecular weight of 273.08 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol is sourced from PubChem (CID 22359614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).