1-(tert-butylamino)-2,2,2-trichloroethanol

C6H12Cl3NO — CID 15321157

IUPAC1-(tert-butylamino)-2,2,2-trichloroethanol
SMILESCC(C)(C)NC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H12Cl3NO/c1-5(2,3)10-4(11)6(7,8)9/h4,10-11H,1-3H3
InChIKeyIGVSANRRVBHESA-UHFFFAOYSA-N
MW220.53 g/mol
LogP2.06
Rot. Bonds1

About 1-(tert-butylamino)-2,2,2-trichloroethanol

1-(tert-butylamino)-2,2,2-trichloroethanol (PubChem CID 15321157) has the molecular formula C6H12Cl3NO and a molecular weight of 220.53 g/mol. Its IUPAC name is 1-(tert-butylamino)-2,2,2-trichloroethanol.

Molecular Properties

Compound Name1-(tert-butylamino)-2,2,2-trichloroethanol
PubChem CID15321157
Molecular FormulaC6H12Cl3NO
Molecular Weight220.53 g/mol
Exact Mass219.00
IUPAC Name1-(tert-butylamino)-2,2,2-trichloroethanol
SMILESCC(C)(C)NC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H12Cl3NO/c1-5(2,3)10-4(11)6(7,8)9/h4,10-11H,1-3H3
InChIKeyIGVSANRRVBHESA-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.53
LogP ≤ 52.06
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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Related Compounds

1-(tert-butylamino)-2-chloropropan-1-ol
CID 88799444
1-(tert-butylamino)-2-methylpropan-1-ol
CID 23232997
N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine
CID 84669079
1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol
CID 142098772
1-N,1-N'-ditert-butylethane-1,1-diamine
CID 23031273
2-(tert-butylamino)-2-chloroacetic acid
CID 142800381
1-(tert-butylamino)-2-(methylamino)ethanol
CID 166823664
(tert-butylamino)-phenylmethanol;ethane
CID 143300021
2-methyl-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]benzenesulfonamide
CID 125486356
azane;2,2,2-trichloroethane-1,1-diol
CID 173440333
1,1,2-trichloropropane-1,2-diol
CID 87301844
2,2,2-trichloro-1-[(2-methylpropan-2-yl)oxy]ethanol
CID 71350127

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2,2,2-trichloroethanol?
The IUPAC name of 1-(tert-butylamino)-2,2,2-trichloroethanol (CID 15321157) is 1-(tert-butylamino)-2,2,2-trichloroethanol.
What is the SMILES notation for 1-(tert-butylamino)-2,2,2-trichloroethanol?
The canonical SMILES for 1-(tert-butylamino)-2,2,2-trichloroethanol is CC(C)(C)NC(O)C(Cl)(Cl)Cl.
What is the InChIKey of 1-(tert-butylamino)-2,2,2-trichloroethanol?
The InChIKey is IGVSANRRVBHESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl3NO/c1-5(2,3)10-4(11)6(7,8)9/h4,10-11H,1-3H3.
What are the key properties of 1-(tert-butylamino)-2,2,2-trichloroethanol?
1-(tert-butylamino)-2,2,2-trichloroethanol has a molecular weight of 220.53 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2,2,2-trichloroethanol is sourced from PubChem (CID 15321157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).