(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium

C4H9F3NO+ — CID 86657675

IUPAC(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium
SMILESCC(O)(C[NH3+])C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-3(9,2-8)4(5,6)7/h9H,2,8H2,1H3/p+1
InChIKeyTYJCFMFELXBCOZ-UHFFFAOYSA-O
MW144.12 g/mol
LogP-0.46
Rot. Bonds1

About (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium

(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium (PubChem CID 86657675) has the molecular formula C4H9F3NO+ and a molecular weight of 144.12 g/mol. Its IUPAC name is (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium.

Molecular Properties

Compound Name(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium
PubChem CID86657675
Molecular FormulaC4H9F3NO+
Molecular Weight144.12 g/mol
Exact Mass144.06
IUPAC Name(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium
SMILESCC(O)(C[NH3+])C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-3(9,2-8)4(5,6)7/h9H,2,8H2,1H3/p+1
InChIKeyTYJCFMFELXBCOZ-UHFFFAOYSA-O
XLogP-0.46
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol
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3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol
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CID 80611068
1,1,1-Trifluoro-2-methyl-3-(methylamino)propan-2-ol
CID 18720359
2-Butanol,3-amino-1,1,1-trifluoro-2-methyl-,(2R,3S)-
CID 21585367
2-Propanol, 3-amino-2-(aminomethyl)-1,1,1-trifluoro-
CID 24809748
2-(Aminomethyl)-1,1,1-trifluorobutan-2-ol
CID 55255128
3-Amino-4,4,4-trifluoro-2-methylbutan-2-ol hydrochloride
CID 57436252
3-Amino-4,4,4-trifluoro-2-methylbutan-2-ol
CID 57436253

Frequently Asked Questions

What is the IUPAC name of (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium?
The IUPAC name of (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium (CID 86657675) is (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium.
What is the SMILES notation for (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium?
The canonical SMILES for (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium is CC(O)(C[NH3+])C(F)(F)F.
What is the InChIKey of (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium?
The InChIKey is TYJCFMFELXBCOZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8F3NO/c1-3(9,2-8)4(5,6)7/h9H,2,8H2,1H3/p+1.
What are the key properties of (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium?
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium has a molecular weight of 144.12 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,3-trifluoro-2-hydroxy-2-methylpropyl)azanium is sourced from PubChem (CID 86657675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).