2-(1,2,2-trichloroethenoxy)propane

C5H7Cl3O — CID 86259327

IUPAC2-(1,2,2-trichloroethenoxy)propane
SMILESCC(C)OC(Cl)=C(Cl)Cl
InChIInChI=1S/C5H7Cl3O/c1-3(2)9-5(8)4(6)7/h3H,1-2H3
InChIKeyKEWPBLDQGYPYQA-UHFFFAOYSA-N
MW189.47 g/mol
LogP3.25
Rot. Bonds2

About 2-(1,2,2-trichloroethenoxy)propane

2-(1,2,2-trichloroethenoxy)propane (PubChem CID 86259327) has the molecular formula C5H7Cl3O and a molecular weight of 189.47 g/mol. Its IUPAC name is 2-(1,2,2-trichloroethenoxy)propane.

Molecular Properties

Compound Name2-(1,2,2-trichloroethenoxy)propane
PubChem CID86259327
Molecular FormulaC5H7Cl3O
Molecular Weight189.47 g/mol
Exact Mass187.96
IUPAC Name2-(1,2,2-trichloroethenoxy)propane
SMILESCC(C)OC(Cl)=C(Cl)Cl
InChIInChI=1S/C5H7Cl3O/c1-3(2)9-5(8)4(6)7/h3H,1-2H3
InChIKeyKEWPBLDQGYPYQA-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl carbonochloridate
CID 7917
2,4-di(propan-2-yloxy)penta-1,4-diene
CID 87755689
azane;propan-2-yl carbamate
CID 172769477
1-chloro-1-(1-chloroethenoxy)ethane
CID 89186659
1-hydroxyethyl 2-chloroprop-2-enoate
CID 22155739
methyl 3,3-dichloro-2-(dichloromethyl)prop-2-enoate
CID 139704871
carbonic acid;ethene;propan-2-yl hydrogen carbonate
CID 175300658
propan-2-yl 2-methylprop-2-enoate
CID 146421311
3-hydroxybutan-2-yl 2-chloroprop-2-enoate
CID 87235238
propan-2-yl 4-chloro-4-oxobut-2-enoate
CID 71363226
propan-2-yl 4-chloro-4-oxobutanoate
CID 15209176
2-chloro-3-propan-2-yloxyhexa-2,4-diene
CID 123282119

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trichloroethenoxy)propane?
The IUPAC name of 2-(1,2,2-trichloroethenoxy)propane (CID 86259327) is 2-(1,2,2-trichloroethenoxy)propane.
What is the SMILES notation for 2-(1,2,2-trichloroethenoxy)propane?
The canonical SMILES for 2-(1,2,2-trichloroethenoxy)propane is CC(C)OC(Cl)=C(Cl)Cl.
What is the InChIKey of 2-(1,2,2-trichloroethenoxy)propane?
The InChIKey is KEWPBLDQGYPYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3O/c1-3(2)9-5(8)4(6)7/h3H,1-2H3.
What are the key properties of 2-(1,2,2-trichloroethenoxy)propane?
2-(1,2,2-trichloroethenoxy)propane has a molecular weight of 189.47 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trichloroethenoxy)propane is sourced from PubChem (CID 86259327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).