2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol

C8H17F3N2O — CID 163994336

IUPAC2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol
SMILESCCCC(NC)C(O)(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-3-4-6(13-2)7(14,5-12)8(9,10)11/h6,13-14H,3-5,12H2,1-2H3
InChIKeyUDJKSNVJLKZXDE-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.63
Rot. Bonds5

About 2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol

2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol (PubChem CID 163994336) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol
PubChem CID163994336
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol
SMILESCCCC(NC)C(O)(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-3-4-6(13-2)7(14,5-12)8(9,10)11/h6,13-14H,3-5,12H2,1-2H3
InChIKeyUDJKSNVJLKZXDE-UHFFFAOYSA-N
XLogP0.63
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-Aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol
CID 121379110
4,4-Difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol
CID 134570750
4,4-Difluoro-1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 177955087
1-Amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-2-ol
CID 64820460
6,6,6-Trifluoro-3-methyl-1-(propan-2-ylamino)hexan-3-ol
CID 65984806
5,5,5-Trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol
CID 66037252
5,5,5-Trifluoro-2-methyl-1-(propylamino)pentan-2-ol
CID 66037473
1-(Cyclopropylamino)-5,5,5-trifluoro-2-methylpentan-2-ol
CID 66037496
1-(Ethylamino)-5,5,5-trifluoro-2-methylpentan-2-ol
CID 66037935
1-(Tert-butylamino)-5,5,5-trifluoro-2-methylpentan-2-ol
CID 66038219
2,4-Dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
CID 66178563
1-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
CID 102869656

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol?
The IUPAC name of 2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol (CID 163994336) is 2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol.
What is the SMILES notation for 2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol?
The canonical SMILES for 2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol is CCCC(NC)C(O)(CN)C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol?
The InChIKey is UDJKSNVJLKZXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-3-4-6(13-2)7(14,5-12)8(9,10)11/h6,13-14H,3-5,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol?
2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol has a molecular weight of 214.23 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol is sourced from PubChem (CID 163994336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).