(2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride

C4H9ClF3NO — CID 56970085

IUPAC(2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride
SMILESC[C@@](N)(CO)C(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-3(8,2-9)4(5,6)7;/h9H,2,8H2,1H3;1H/t3-;/m1./s1
InChIKeyCBTVWNOABWZSTQ-AENDTGMFSA-N
MW179.57 g/mol
LogP0.68
Rot. Bonds1

About (2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride

(2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride (PubChem CID 56970085) has the molecular formula C4H9ClF3NO and a molecular weight of 179.57 g/mol. Its IUPAC name is (2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride
PubChem CID56970085
Molecular FormulaC4H9ClF3NO
Molecular Weight179.57 g/mol
Exact Mass179.03
IUPAC Name(2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride
SMILESC[C@@](N)(CO)C(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-3(8,2-9)4(5,6)7;/h9H,2,8H2,1H3;1H/t3-;/m1./s1
InChIKeyCBTVWNOABWZSTQ-AENDTGMFSA-N
XLogP0.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.57
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-2-methyl-1-propanol hydrochloride
CID 76673
3-Amino-1,1,1-trifluoro-3-methylbutan-2-ol hydrochloride
CID 19936549
2-Amino-3,3,3-trifluoro-2-methylpropan-1-ol hydrochloride
CID 76453004
2-Amino-4,4,4-trifluoro-2-methylbutan-1-ol
CID 84071980
2-Amino-2-(trifluoromethyl)propane-1,3-diol hydrochloride
CID 122164474
2-Amino-4,4-difluoro-2-methylbutan-1-ol hydrochloride
CID 145867329
(1-Hydroxy-2-methylpropan-2-yl)azanium chloride
CID 57347241
3-Amino-1,1-difluoro-3-methylbutan-2-ol
CID 66037155
2-Amino-3,3-difluoro-2-methylpropan-1-ol hydrochloride
CID 137944855
2-Amino-3-fluoro-2-(fluoromethyl)propan-1-ol hydrochloride
CID 155858884
N-chloro-2-amino-2-methyl-1-propanol
CID 23127609
2-Methyl-2-(trifluoromethylsulfanylamino)propan-1-ol
CID 21730936

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride (CID 56970085) is (2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride is C[C@@](N)(CO)C(F)(F)F.Cl.
What is the InChIKey of (2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride?
The InChIKey is CBTVWNOABWZSTQ-AENDTGMFSA-N. The full InChI is InChI=1S/C4H8F3NO.ClH/c1-3(8,2-9)4(5,6)7;/h9H,2,8H2,1H3;1H/t3-;/m1./s1.
What are the key properties of (2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride?
(2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride has a molecular weight of 179.57 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 56970085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).