chloroform;2-methylpropan-1-ol

C5H11Cl3O — CID 22625576

IUPACchloroform;2-methylpropan-1-ol
SMILESCC(C)CO.ClC(Cl)Cl
InChIInChI=1S/C4H10O.CHCl3/c1-4(2)3-5;2-1(3)4/h4-5H,3H2,1-2H3;1H
InChIKeyCARRFNJPNUNPFH-UHFFFAOYSA-N
MW193.50 g/mol
LogP2.62
Rot. Bonds1

About chloroform;2-methylpropan-1-ol

chloroform;2-methylpropan-1-ol (PubChem CID 22625576) has the molecular formula C5H11Cl3O and a molecular weight of 193.50 g/mol. Its IUPAC name is chloroform;2-methylpropan-1-ol.

Molecular Properties

Compound Namechloroform;2-methylpropan-1-ol
PubChem CID22625576
Molecular FormulaC5H11Cl3O
Molecular Weight193.50 g/mol
Exact Mass191.99
IUPAC Namechloroform;2-methylpropan-1-ol
SMILESCC(C)CO.ClC(Cl)Cl
InChIInChI=1S/C4H10O.CHCl3/c1-4(2)3-5;2-1(3)4/h4-5H,3H2,1-2H3;1H
InChIKeyCARRFNJPNUNPFH-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.50
LogP ≤ 52.62
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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azane;tris(2-methylpropan-1-ol)
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2-methylpropan-1-ol;zirconium(3+)
CID 150803706
lanthanum;tris(2-methylpropan-1-ol)
CID 140708551
tris(2-methylpropan-1-ol);titanium
CID 87503095
chloroform;propane-1,2-diol
CID 159626759
sodium;2-methylpropan-1-ol;chloride
CID 172733950
2-methylpropan-1-ol;zirconium;hydrochloride
CID 174563411
2-methylpropan-1-ol;titanium;dihydrochloride
CID 174321240
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
magnesium;hydride;2-methylpropan-1-ol;hydroiodide
CID 174198179

Frequently Asked Questions

What is the IUPAC name of chloroform;2-methylpropan-1-ol?
The IUPAC name of chloroform;2-methylpropan-1-ol (CID 22625576) is chloroform;2-methylpropan-1-ol.
What is the SMILES notation for chloroform;2-methylpropan-1-ol?
The canonical SMILES for chloroform;2-methylpropan-1-ol is CC(C)CO.ClC(Cl)Cl.
What is the InChIKey of chloroform;2-methylpropan-1-ol?
The InChIKey is CARRFNJPNUNPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.CHCl3/c1-4(2)3-5;2-1(3)4/h4-5H,3H2,1-2H3;1H.
What are the key properties of chloroform;2-methylpropan-1-ol?
chloroform;2-methylpropan-1-ol has a molecular weight of 193.50 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;2-methylpropan-1-ol is sourced from PubChem (CID 22625576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).