2,2-dichlorocyclopropan-1-ol

C3H4Cl2O — CID 13351707

IUPAC2,2-dichlorocyclopropan-1-ol
SMILESOC1CC1(Cl)Cl
InChIInChI=1S/C3H4Cl2O/c4-3(5)1-2(3)6/h2,6H,1H2
InChIKeyMYGKOTXRVZHQSU-UHFFFAOYSA-N
MW126.97 g/mol
LogP0.92
Rot. Bonds

About 2,2-dichlorocyclopropan-1-ol

2,2-dichlorocyclopropan-1-ol (PubChem CID 13351707) has the molecular formula C3H4Cl2O and a molecular weight of 126.97 g/mol. Its IUPAC name is 2,2-dichlorocyclopropan-1-ol.

Molecular Properties

Compound Name2,2-dichlorocyclopropan-1-ol
PubChem CID13351707
Molecular FormulaC3H4Cl2O
Molecular Weight126.97 g/mol
Exact Mass125.96
IUPAC Name2,2-dichlorocyclopropan-1-ol
SMILESOC1CC1(Cl)Cl
InChIInChI=1S/C3H4Cl2O/c4-3(5)1-2(3)6/h2,6H,1H2
InChIKeyMYGKOTXRVZHQSU-UHFFFAOYSA-N
XLogP0.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.97
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichlorocyclopropan-1-ol?
The IUPAC name of 2,2-dichlorocyclopropan-1-ol (CID 13351707) is 2,2-dichlorocyclopropan-1-ol.
What is the SMILES notation for 2,2-dichlorocyclopropan-1-ol?
The canonical SMILES for 2,2-dichlorocyclopropan-1-ol is OC1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichlorocyclopropan-1-ol?
The InChIKey is MYGKOTXRVZHQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2O/c4-3(5)1-2(3)6/h2,6H,1H2.
What are the key properties of 2,2-dichlorocyclopropan-1-ol?
2,2-dichlorocyclopropan-1-ol has a molecular weight of 126.97 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichlorocyclopropan-1-ol is sourced from PubChem (CID 13351707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).