2,2,2-trichloro-1-(propan-2-ylamino)ethanol

C5H10Cl3NO — CID 86133515

IUPAC2,2,2-trichloro-1-(propan-2-ylamino)ethanol
SMILESCC(C)NC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C5H10Cl3NO/c1-3(2)9-4(10)5(6,7)8/h3-4,9-10H,1-2H3
InChIKeyRISOWJFHPQZCNE-UHFFFAOYSA-N
MW206.50 g/mol
LogP1.67
Rot. Bonds2

About 2,2,2-trichloro-1-(propan-2-ylamino)ethanol

2,2,2-trichloro-1-(propan-2-ylamino)ethanol (PubChem CID 86133515) has the molecular formula C5H10Cl3NO and a molecular weight of 206.50 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-(propan-2-ylamino)ethanol
PubChem CID86133515
Molecular FormulaC5H10Cl3NO
Molecular Weight206.50 g/mol
Exact Mass204.98
IUPAC Name2,2,2-trichloro-1-(propan-2-ylamino)ethanol
SMILESCC(C)NC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C5H10Cl3NO/c1-3(2)9-4(10)5(6,7)8/h3-4,9-10H,1-2H3
InChIKeyRISOWJFHPQZCNE-UHFFFAOYSA-N
XLogP1.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.50
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(propan-2-ylamino)ethanol?
The IUPAC name of 2,2,2-trichloro-1-(propan-2-ylamino)ethanol (CID 86133515) is 2,2,2-trichloro-1-(propan-2-ylamino)ethanol.
What is the SMILES notation for 2,2,2-trichloro-1-(propan-2-ylamino)ethanol?
The canonical SMILES for 2,2,2-trichloro-1-(propan-2-ylamino)ethanol is CC(C)NC(O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-(propan-2-ylamino)ethanol?
The InChIKey is RISOWJFHPQZCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl3NO/c1-3(2)9-4(10)5(6,7)8/h3-4,9-10H,1-2H3.
What are the key properties of 2,2,2-trichloro-1-(propan-2-ylamino)ethanol?
2,2,2-trichloro-1-(propan-2-ylamino)ethanol has a molecular weight of 206.50 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(propan-2-ylamino)ethanol is sourced from PubChem (CID 86133515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).