3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol

C9H19F3N2O — CID 114356745

IUPAC3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
SMILESCCCC(N)C(CO)N(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-4-7(13)8(5-15)14(2)6-9(10,11)12/h7-8,15H,3-6,13H2,1-2H3
InChIKeyDLIHQBWYWKBVFC-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.97
Rot. Bonds6

About 3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol

3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol (PubChem CID 114356745) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
PubChem CID114356745
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
SMILESCCCC(N)C(CO)N(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-4-7(13)8(5-15)14(2)6-9(10,11)12/h7-8,15H,3-6,13H2,1-2H3
InChIKeyDLIHQBWYWKBVFC-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-2-yl]ethanol
CID 43752650
2-[(3-Amino-1,1,1-trifluoropropan-2-yl)-cyclohexylamino]ethanol
CID 54993460
2-(2,2,2-Trifluoroethylamino)heptan-1-ol
CID 61045290
2-(2,2,2-Trifluoroethylamino)hexan-1-ol
CID 61352156
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]methanol
CID 61406587
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-2-yl]methanol
CID 61407087
2-[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol
CID 61647543
2-[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-2-yl]ethanol
CID 61647544
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-butylamino]ethanol
CID 61647762
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-methylamino]ethanol
CID 61647976
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-propylamino]ethanol
CID 61647979
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-ethylamino]ethanol
CID 61648028

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
The IUPAC name of 3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol (CID 114356745) is 3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol.
What is the SMILES notation for 3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
The canonical SMILES for 3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol is CCCC(N)C(CO)N(C)CC(F)(F)F.
What is the InChIKey of 3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
The InChIKey is DLIHQBWYWKBVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-3-4-7(13)8(5-15)14(2)6-9(10,11)12/h7-8,15H,3-6,13H2,1-2H3.
What are the key properties of 3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol has a molecular weight of 228.26 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[methyl(2,2,2-trifluoroethyl)amino]hexan-1-ol is sourced from PubChem (CID 114356745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).