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

C10H20F3NO2 — CID 106115145

IUPAC3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCC(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-2-3-8(4-5-15)6-14-7-9(16)10(11,12)13/h8-9,14-16H,2-7H2,1H3
InChIKeyKETVNQVROYLFEY-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.30
Rot. Bonds8

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

3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol (PubChem CID 106115145) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol
PubChem CID106115145
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCC(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-2-3-8(4-5-15)6-14-7-9(16)10(11,12)13/h8-9,14-16H,2-7H2,1H3
InChIKeyKETVNQVROYLFEY-UHFFFAOYSA-N
XLogP1.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R,4R,5S)-5-(1,1-difluoroethyl)piperidine-3,4-diol
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(3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol
CID 51357588
(3R,4R,5S)-5-[(1S)-1-fluoropropyl]piperidine-3,4-diol
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(3S,5R)-5-[(1S)-1-fluoropropyl]piperidin-3-ol
CID 68374505
(3S,5S)-5-(2,2-difluoroethyl)piperidin-3-ol
CID 68374655
5-(1,1-Difluoroethyl)piperidine-3,4-diol
CID 75631244
5-(1-Fluoropropyl)piperidine-3,4-diol
CID 75631859
5-(2,2-Difluoroethyl)piperidin-3-ol
CID 77471879
6-(Ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol
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5-(1-Fluoropropyl)-4-methylpiperidin-3-ol
CID 123577643
(2R,3R,4S,5S)-5-fluoro-4-methyl-1-(methylamino)heptane-2,3-diol
CID 126716033

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol (CID 106115145) is 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol is CCCC(CCO)CNCC(O)C(F)(F)F.
What is the InChIKey of 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol?
The InChIKey is KETVNQVROYLFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-2-3-8(4-5-15)6-14-7-9(16)10(11,12)13/h8-9,14-16H,2-7H2,1H3.
What are the key properties of 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol?
3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol has a molecular weight of 243.27 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106115145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).