2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C4H5F6NO — CID 12023677

IUPAC2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H5F6NO/c5-3(6,7)2(12,1-11)4(8,9)10/h12H,1,11H2
InChIKeyQGLIOTYTGRWVPT-UHFFFAOYSA-N
MW197.08 g/mol
LogP0.80
Rot. Bonds1

About 2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 12023677) has the molecular formula C4H5F6NO and a molecular weight of 197.08 g/mol. Its IUPAC name is 2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID12023677
Molecular FormulaC4H5F6NO
Molecular Weight197.08 g/mol
Exact Mass197.03
IUPAC Name2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H5F6NO/c5-3(6,7)2(12,1-11)4(8,9)10/h12H,1,11H2
InChIKeyQGLIOTYTGRWVPT-UHFFFAOYSA-N
XLogP0.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.08
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol hydrochloride
CID 71757351
3-Amino-1,1-difluoro-2-methylpropan-2-ol
CID 80611068
(S)-3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol
CID 58442301
3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol
CID 13620759
2-Propanol, 3-amino-2-(aminomethyl)-1,1,1-trifluoro-
CID 24809748
(S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol hydrochloride
CID 86657664
3,3,3-Trifluoro-2-hydroxy-2-methyl-propyl-ammonium
CID 86657675
2-Propanol,3-amino-1,1,1-trifluoro-2-methyl-,(2R)-
CID 88855714
3-(Chloroamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 89167714
1-Amino-3-fluoro-2-(fluoromethyl)propan-2-ol
CID 117635860
3-Amino-1,1,1,2-tetrafluoropropan-2-ol
CID 176641052
[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]azanide
CID 153997911

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 12023677) is 2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is NCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is QGLIOTYTGRWVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6NO/c5-3(6,7)2(12,1-11)4(8,9)10/h12H,1,11H2.
What are the key properties of 2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 197.08 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 12023677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).