3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol

C8H16F3NO — CID 63002018

IUPAC3-(2,2-dimethylpropylamino)-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)CNCC(C(F)(F)F)O
InChIInChI=1S/C8H16F3NO/c1-7(2,3)5-12-4-6(13)8(9,10)11/h6,12-13H,4-5H2,1-3H3
InChIKeyYBYJBHKNDOGGJI-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.00
Rot. Bonds4

About 3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol

3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 63002018) has the molecular formula C8H16F3NO and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID63002018
Molecular FormulaC8H16F3NO
Molecular Weight199.21 g/mol
Exact Mass199.12
IUPAC Name3-(2,2-dimethylpropylamino)-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)CNCC(C(F)(F)F)O
InChIInChI=1S/C8H16F3NO/c1-7(2,3)5-12-4-6(13)8(9,10)11/h6,12-13H,4-5H2,1-3H3
InChIKeyYBYJBHKNDOGGJI-UHFFFAOYSA-N
XLogP2.00
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity150

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-Trifluoro-3-({4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butyl}amino)-2-propanol
CID 2767999
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
1,1,1-Trifluoro-3-(methylamino)propan-2-ol
CID 22367232
1-(Ethylamino)-3-fluoropropan-2-ol
CID 59154890
3-(Ethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900017
(2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol hydrochloride
CID 165996257
(2S)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol hydrochloride
CID 165997674
(2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol hydrochloride
CID 165999154
(2R)-1,1,1-trifluoro-3-(methylamino)propan-2-ol hydrochloride
CID 165999155
1,1,1-Trifluoro-3-[(propan-2-yl)amino]propan-2-ol
CID 19417382
1-(2,2,2-Trifluoroethylamino)propan-2-ol
CID 43499848
3-(Tert-butylamino)-1,1,1-trifluoropropan-2-ol
CID 57957354

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol (CID 63002018) is 3-(2,2-dimethylpropylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol is CC(C)(C)CNCC(C(F)(F)F)O.
What is the InChIKey of 3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is YBYJBHKNDOGGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,3)5-12-4-6(13)8(9,10)11/h6,12-13H,4-5H2,1-3H3.
What are the key properties of 3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol?
3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 199.21 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63002018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).