CID 153135511

C6H12BCl2NO — CID 153135511

IUPAC—
SMILES[B]CC(C)NCC(Cl)(Cl)CO
InChIInChI=1S/C6H12BCl2NO/c1-5(2-7)10-3-6(8,9)4-11/h5,10-11H,2-4H2,1H3
InChIKeyOMOAKQXTCUHDKK-UHFFFAOYSA-N
MW195.89 g/mol
LogP0.72
Rot. Bonds5

About CID 153135511

CID 153135511 (PubChem CID 153135511) has the molecular formula C6H12BCl2NO and a molecular weight of 195.89 g/mol.

Molecular Properties

Compound NameCID 153135511
PubChem CID153135511
Molecular FormulaC6H12BCl2NO
Molecular Weight195.89 g/mol
Exact Mass195.04
IUPAC Name—
SMILES[B]CC(C)NCC(Cl)(Cl)CO
InChIInChI=1S/C6H12BCl2NO/c1-5(2-7)10-3-6(8,9)4-11/h5,10-11H,2-4H2,1H3
InChIKeyOMOAKQXTCUHDKK-UHFFFAOYSA-N
XLogP0.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.89
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 146915606
CID 148357249
CID 148357249
CID 149133147
CID 149133147
2,2,2-Trichloro-1-(propan-2-ylamino)ethanol
CID 86133515

Frequently Asked Questions

What is the IUPAC name of CID 153135511?
The IUPAC name of CID 153135511 (CID 153135511) is not available.
What is the SMILES notation for CID 153135511?
The canonical SMILES for CID 153135511 is [B]CC(C)NCC(Cl)(Cl)CO.
What is the InChIKey of CID 153135511?
The InChIKey is OMOAKQXTCUHDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BCl2NO/c1-5(2-7)10-3-6(8,9)4-11/h5,10-11H,2-4H2,1H3.
What are the key properties of CID 153135511?
CID 153135511 has a molecular weight of 195.89 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153135511 is sourced from PubChem (CID 153135511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).