CID 175328080

CBCl3O — CID 175328080

IUPAC—
SMILESO=C(Cl)Cl.[B]Cl
InChIInChI=1S/CCl2O.BCl/c2-1(3)4;1-2
InChIKeyDHWILTVBXUIOCO-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.89
Rot. Bonds

About CID 175328080

CID 175328080 (PubChem CID 175328080) has the molecular formula CBCl3O and a molecular weight of 145.18 g/mol.

Molecular Properties

Compound NameCID 175328080
PubChem CID175328080
Molecular FormulaCBCl3O
Molecular Weight145.18 g/mol
Exact Mass143.91
IUPAC Name—
SMILESO=C(Cl)Cl.[B]Cl
InChIInChI=1S/CCl2O.BCl/c2-1(3)4;1-2
InChIKeyDHWILTVBXUIOCO-UHFFFAOYSA-N
XLogP1.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175328080?
The IUPAC name of CID 175328080 (CID 175328080) is not available.
What is the SMILES notation for CID 175328080?
The canonical SMILES for CID 175328080 is O=C(Cl)Cl.[B]Cl.
What is the InChIKey of CID 175328080?
The InChIKey is DHWILTVBXUIOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl2O.BCl/c2-1(3)4;1-2.
What are the key properties of CID 175328080?
CID 175328080 has a molecular weight of 145.18 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175328080 is sourced from PubChem (CID 175328080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).