2-(chloroamino)propan-2-ol

C3H8ClNO — CID 174333628

IUPAC2-(chloroamino)propan-2-ol
SMILESCC(C)(O)NCl
InChIInChI=1S/C3H8ClNO/c1-3(2,6)5-4/h5-6H,1-2H3
InChIKeyVAKBGDJJMCDXAV-UHFFFAOYSA-N
MW109.56 g/mol
LogP0.46
Rot. Bonds1

About 2-(chloroamino)propan-2-ol

2-(chloroamino)propan-2-ol (PubChem CID 174333628) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is 2-(chloroamino)propan-2-ol.

Molecular Properties

Compound Name2-(chloroamino)propan-2-ol
PubChem CID174333628
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC Name2-(chloroamino)propan-2-ol
SMILESCC(C)(O)NCl
InChIInChI=1S/C3H8ClNO/c1-3(2,6)5-4/h5-6H,1-2H3
InChIKeyVAKBGDJJMCDXAV-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1,1,2-trichloropropane-1,2-diol
CID 87301844
CID 155675070
CID 155675070
dichloromethane;2-methylpropan-2-ol
CID 18914702
2-methylpropan-2-ol;titanium(4+)
CID 159912750
ethane-1,1,1-triol;hydrochloride
CID 21272946
2-methylpropan-2-ol;molybdenum
CID 174435313
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;neodymium
CID 154348927
methane;2-methylpropan-2-ol
CID 157161859
gallane;tris(2-methylpropan-2-ol)
CID 175569744
lithium 2-methylpropan-2-ol
CID 21120036
bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate
CID 5284505

Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)propan-2-ol?
The IUPAC name of 2-(chloroamino)propan-2-ol (CID 174333628) is 2-(chloroamino)propan-2-ol.
What is the SMILES notation for 2-(chloroamino)propan-2-ol?
The canonical SMILES for 2-(chloroamino)propan-2-ol is CC(C)(O)NCl.
What is the InChIKey of 2-(chloroamino)propan-2-ol?
The InChIKey is VAKBGDJJMCDXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO/c1-3(2,6)5-4/h5-6H,1-2H3.
What are the key properties of 2-(chloroamino)propan-2-ol?
2-(chloroamino)propan-2-ol has a molecular weight of 109.56 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)propan-2-ol is sourced from PubChem (CID 174333628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).