chloroform;propan-2-ol

C7H12Cl12O — CID 173195035

IUPACchloroform;propan-2-ol
SMILESCC(C)O.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
InChIInChI=1S/C3H8O.4CHCl3/c1-3(2)4;4*2-1(3)4/h3-4H,1-2H3;4*1H
InChIKeyQPPVRCNQDRVXKJ-UHFFFAOYSA-N
MW537.61 g/mol
LogP8.33
Rot. Bonds

About chloroform;propan-2-ol

chloroform;propan-2-ol (PubChem CID 173195035) has the molecular formula C7H12Cl12O and a molecular weight of 537.61 g/mol. Its IUPAC name is chloroform;propan-2-ol.

Molecular Properties

Compound Namechloroform;propan-2-ol
PubChem CID173195035
Molecular FormulaC7H12Cl12O
Molecular Weight537.61 g/mol
Exact Mass531.72
IUPAC Namechloroform;propan-2-ol
SMILESCC(C)O.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
InChIInChI=1S/C3H8O.4CHCl3/c1-3(2)4;4*2-1(3)4/h3-4H,1-2H3;4*1H
InChIKeyQPPVRCNQDRVXKJ-UHFFFAOYSA-N
XLogP8.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.61
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Indium(III) isopropoxide
CID 159258374
chloroform;methanol
CID 173018799
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CID 174681393
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CID 19010899

Frequently Asked Questions

What is the IUPAC name of chloroform;propan-2-ol?
The IUPAC name of chloroform;propan-2-ol (CID 173195035) is chloroform;propan-2-ol.
What is the SMILES notation for chloroform;propan-2-ol?
The canonical SMILES for chloroform;propan-2-ol is CC(C)O.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.
What is the InChIKey of chloroform;propan-2-ol?
The InChIKey is QPPVRCNQDRVXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.4CHCl3/c1-3(2)4;4*2-1(3)4/h3-4H,1-2H3;4*1H.
What are the key properties of chloroform;propan-2-ol?
chloroform;propan-2-ol has a molecular weight of 537.61 g/mol, XLogP of 8.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;propan-2-ol is sourced from PubChem (CID 173195035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).