CID 19838362

C2H4BCl3N — CID 19838362

IUPAC—
SMILESCC(Cl)N(Cl)Cl.[B]
InChIInChI=1S/C2H4Cl3N.B/c1-2(3)6(4)5;/h2H,1H3;
InChIKeyOWUFXTYALANROR-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.80
Rot. Bonds1

About CID 19838362

CID 19838362 (PubChem CID 19838362) has the molecular formula C2H4BCl3N and a molecular weight of 159.23 g/mol.

Molecular Properties

Compound NameCID 19838362
PubChem CID19838362
Molecular FormulaC2H4BCl3N
Molecular Weight159.23 g/mol
Exact Mass157.95
IUPAC Name—
SMILESCC(Cl)N(Cl)Cl.[B]
InChIInChI=1S/C2H4Cl3N.B/c1-2(3)6(4)5;/h2H,1H3;
InChIKeyOWUFXTYALANROR-UHFFFAOYSA-N
XLogP1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-(1-chloroethyl)-N-methylethanamine
CID 22463990
chloro(trimethyl)phosphanium
CID 15830224
magnesium;2-chloropropane;dichloride
CID 158508799
CID 118356908
CID 118356908
1-chloroethanol;N,N-dimethylmethanamine
CID 87179107
lithium;magnesium;2-chloropropane;trichloride
CID 175456910
chloroform;N,N-dimethylmethanamine
CID 19983331
bromo-chloro-dimethylphosphanium
CID 23415191
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
dichloro-methyl-sulfanylphosphanium
CID 88580697
(1R)-1-bromo-1-chloroethane
CID 96570687
2,4-dichloro-3-methylpentane
CID 89169064

Frequently Asked Questions

What is the IUPAC name of CID 19838362?
The IUPAC name of CID 19838362 (CID 19838362) is not available.
What is the SMILES notation for CID 19838362?
The canonical SMILES for CID 19838362 is CC(Cl)N(Cl)Cl.[B].
What is the InChIKey of CID 19838362?
The InChIKey is OWUFXTYALANROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl3N.B/c1-2(3)6(4)5;/h2H,1H3;.
What are the key properties of CID 19838362?
CID 19838362 has a molecular weight of 159.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19838362 is sourced from PubChem (CID 19838362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).