CID 169059230

C4H5Cl2 — CID 169059230

IUPAC—
SMILES[CH2]CC=C(Cl)Cl
InChIInChI=1S/C4H5Cl2/c1-2-3-4(5)6/h3H,1-2H2
InChIKeyLJRCXWUUTIJSKJ-UHFFFAOYSA-N
MW123.99 g/mol
LogP2.53
Rot. Bonds1

About CID 169059230

CID 169059230 (PubChem CID 169059230) has the molecular formula C4H5Cl2 and a molecular weight of 123.99 g/mol.

Molecular Properties

Compound NameCID 169059230
PubChem CID169059230
Molecular FormulaC4H5Cl2
Molecular Weight123.99 g/mol
Exact Mass122.98
IUPAC Name—
SMILES[CH2]CC=C(Cl)Cl
InChIInChI=1S/C4H5Cl2/c1-2-3-4(5)6/h3H,1-2H2
InChIKeyLJRCXWUUTIJSKJ-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.99
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 169059230?
The IUPAC name of CID 169059230 (CID 169059230) is not available.
What is the SMILES notation for CID 169059230?
The canonical SMILES for CID 169059230 is [CH2]CC=C(Cl)Cl.
What is the InChIKey of CID 169059230?
The InChIKey is LJRCXWUUTIJSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl2/c1-2-3-4(5)6/h3H,1-2H2.
What are the key properties of CID 169059230?
CID 169059230 has a molecular weight of 123.99 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169059230 is sourced from PubChem (CID 169059230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).