2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane

C8H13Cl3O2 — CID 176911547

IUPAC2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane
SMILESCC1OC1(Cl)Cl.ClCCOC1CC1
InChIInChI=1S/C5H9ClO.C3H4Cl2O/c6-3-4-7-5-1-2-5;1-2-3(4,5)6-2/h5H,1-4H2;2H,1H3
InChIKeyDKNPERLUDHWMBG-UHFFFAOYSA-N
MW247.55 g/mol
LogP2.94
Rot. Bonds3

About 2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane

2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane (PubChem CID 176911547) has the molecular formula C8H13Cl3O2 and a molecular weight of 247.55 g/mol. Its IUPAC name is 2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane.

Molecular Properties

Compound Name2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane
PubChem CID176911547
Molecular FormulaC8H13Cl3O2
Molecular Weight247.55 g/mol
Exact Mass246.00
IUPAC Name2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane
SMILESCC1OC1(Cl)Cl.ClCCOC1CC1
InChIInChI=1S/C5H9ClO.C3H4Cl2O/c6-3-4-7-5-1-2-5;1-2-3(4,5)6-2/h5H,1-4H2;2H,1H3
InChIKeyDKNPERLUDHWMBG-UHFFFAOYSA-N
XLogP2.94
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.55
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane?
The IUPAC name of 2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane (CID 176911547) is 2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane.
What is the SMILES notation for 2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane?
The canonical SMILES for 2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane is CC1OC1(Cl)Cl.ClCCOC1CC1.
What is the InChIKey of 2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane?
The InChIKey is DKNPERLUDHWMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO.C3H4Cl2O/c6-3-4-7-5-1-2-5;1-2-3(4,5)6-2/h5H,1-4H2;2H,1H3.
What are the key properties of 2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane?
2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane has a molecular weight of 247.55 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxycyclopropane;2,2-dichloro-3-methyloxirane is sourced from PubChem (CID 176911547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).