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

C8H14F3NO3 — CID 106100444

IUPAC3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c9-8(10,11)6(13)3-12-4-7(14)1-2-15-5-7/h6,12-14H,1-5H2
InChIKeyNCTAFFFTQNWTAO-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.35
Rot. Bonds4

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

3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol (PubChem CID 106100444) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
PubChem CID106100444
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c9-8(10,11)6(13)3-12-4-7(14)1-2-15-5-7/h6,12-14H,1-5H2
InChIKeyNCTAFFFTQNWTAO-UHFFFAOYSA-N
XLogP-0.35
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol (CID 106100444) is 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol is OC(CNCC1(O)CCOC1)C(F)(F)F.
What is the InChIKey of 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
The InChIKey is NCTAFFFTQNWTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c9-8(10,11)6(13)3-12-4-7(14)1-2-15-5-7/h6,12-14H,1-5H2.
What are the key properties of 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol has a molecular weight of 229.20 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).