4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol

C9H19F3N2O — CID 123310272

IUPAC4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol
SMILESCC(C)NCCC(N)CC(O)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-6(2)14-4-3-7(13)5-8(15)9(10,11)12/h6-8,14-15H,3-5,13H2,1-2H3
InChIKeyVJZSJMHOBANQAT-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.02
Rot. Bonds6

About 4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol

4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol (PubChem CID 123310272) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol.

Molecular Properties

Compound Name4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol
PubChem CID123310272
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol
SMILESCC(C)NCCC(N)CC(O)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-6(2)14-4-3-7(13)5-8(15)9(10,11)12/h6-8,14-15H,3-5,13H2,1-2H3
InChIKeyVJZSJMHOBANQAT-UHFFFAOYSA-N
XLogP1.02
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-Trifluoro-4-(2-methylpropylamino)hexan-2-ol
CID 89162252
1-[[(3R)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol
CID 121288191
1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol
CID 121290171
1-[[(4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol
CID 134546129
1,3-Diamino-6,6-difluorononan-5-ol
CID 139833577
(3S)-2-(4,4,4-trifluorobutylamino)hexan-3-ol
CID 146647597
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol
CID 147787502
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol;ethane;molecular hydrogen
CID 153623241
5-[2-[Methyl-[2-(trifluoromethoxy)ethyl]amino]ethyl]pyrrolidin-3-ol
CID 172334272
5-[2-[Methyl(trifluoromethoxymethyl)amino]ethyl]pyrrolidin-3-ol
CID 172335217
5-[2-[Methyl(2,2,2-trifluoroethyl)amino]ethyl]pyrrolidin-3-ol
CID 172335865
1,1,1-Trifluoro-6-(methylamino)heptan-2-ol
CID 84733667

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol?
The IUPAC name of 4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol (CID 123310272) is 4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol.
What is the SMILES notation for 4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol?
The canonical SMILES for 4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol is CC(C)NCCC(N)CC(O)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol?
The InChIKey is VJZSJMHOBANQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-6(2)14-4-3-7(13)5-8(15)9(10,11)12/h6-8,14-15H,3-5,13H2,1-2H3.
What are the key properties of 4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol?
4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol has a molecular weight of 228.26 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1-trifluoro-6-(propan-2-ylamino)hexan-2-ol is sourced from PubChem (CID 123310272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).