3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride

C5H11ClF3NO — CID 155822428

IUPAC3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride
SMILESCOC(C)(CN)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-4(3-9,10-2)5(6,7)8;/h3,9H2,1-2H3;1H
InChIKeyAPQIBGAVEQQABC-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.33
Rot. Bonds2

About 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride

3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride (PubChem CID 155822428) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride
PubChem CID155822428
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride
SMILESCOC(C)(CN)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-4(3-9,10-2)5(6,7)8;/h3,9H2,1-2H3;1H
InChIKeyAPQIBGAVEQQABC-UHFFFAOYSA-N
XLogP1.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.60
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-2-methylpropan-1-amine hydrochloride
CID 24944773
3,3,3-Trifluoro-2-methoxypropan-1-amine hydrochloride
CID 54593160
2-(Difluoromethoxy)-2-methylpropan-1-amine
CID 65053225
3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol hydrochloride
CID 71757351
3,3-Difluoro-2-methoxypropan-1-amine hydrochloride
CID 165750490
2-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxyethanamine
CID 57917205
3,3,3-Trifluoro-2-methoxy-2-methylpropan-1-amine
CID 58442351
2-Methyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62355407
(S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol hydrochloride
CID 86657664
(2S)-3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride
CID 169713939
2-((1,1,1-Trifluoro-2-methylpropan-2-yl)oxy)ethan-1-amine hydrochloride
CID 176044251
3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 43752958

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride (CID 155822428) is 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride is COC(C)(CN)C(F)(F)F.Cl.
What is the InChIKey of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride?
The InChIKey is APQIBGAVEQQABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c1-4(3-9,10-2)5(6,7)8;/h3,9H2,1-2H3;1H.
What are the key properties of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride?
3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 155822428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).