1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol

C4HCl9O — CID 140802986

IUPAC1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol
SMILESOC(Cl)(Cl)C(Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4HCl9O/c5-1(2(6,7)8,3(9,10)11)4(12,13)14/h14H
InChIKeyDJZXVIXZRIYIMJ-UHFFFAOYSA-N
MW384.13 g/mol
LogP4.83
Rot. Bonds1

About 1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol

1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol (PubChem CID 140802986) has the molecular formula C4HCl9O and a molecular weight of 384.13 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol.

Molecular Properties

Compound Name1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol
PubChem CID140802986
Molecular FormulaC4HCl9O
Molecular Weight384.13 g/mol
Exact Mass379.72
IUPAC Name1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol
SMILESOC(Cl)(Cl)C(Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4HCl9O/c5-1(2(6,7)8,3(9,10)11)4(12,13)14/h14H
InChIKeyDJZXVIXZRIYIMJ-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.13
LogP ≤ 54.83
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 1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol?
The IUPAC name of 1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol (CID 140802986) is 1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol.
What is the SMILES notation for 1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol?
The canonical SMILES for 1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol is OC(Cl)(Cl)C(Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol?
The InChIKey is DJZXVIXZRIYIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl9O/c5-1(2(6,7)8,3(9,10)11)4(12,13)14/h14H.
What are the key properties of 1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol?
1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol has a molecular weight of 384.13 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexachloro-2-(trichloromethyl)propan-1-ol is sourced from PubChem (CID 140802986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).