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

C9H16F3NO3 — CID 106100920

IUPAC2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-6-8(15,2-3-16-6)5-13-4-7(14)9(10,11)12/h6-7,13-15H,2-5H2,1H3
InChIKeyYPYUQVREBOQNAX-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.04
Rot. Bonds4

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

2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol (PubChem CID 106100920) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
PubChem CID106100920
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-6-8(15,2-3-16-6)5-13-4-7(14)9(10,11)12/h6-7,13-15H,2-5H2,1H3
InChIKeyYPYUQVREBOQNAX-UHFFFAOYSA-N
XLogP0.04
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol
CID 81130953
1,1-Difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol
CID 103787898
1,1,1-Trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104761007
3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]oxolan-3-ol
CID 104925234
1,1,1-Trifluoro-3-[(2-methyloxolan-3-yl)methylamino]propan-2-ol
CID 105736042
3-[(1,1-Difluoropropan-2-ylamino)methyl]oxolan-3-ol
CID 106099939
3-[(1,1-Difluoropropan-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 106100146
3-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
CID 106100420
3-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100444
3-[(3-Fluoropropylamino)methyl]oxolan-3-ol
CID 106100456
3-[(2,2,2-Trifluoroethylamino)methyl]oxolan-3-ol
CID 106100474
3-[(4,4,4-Trifluorobutylamino)methyl]oxolan-3-ol
CID 106100553

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol (CID 106100920) is 2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol is CC1OCCC1(O)CNCC(O)C(F)(F)F.
What is the InChIKey of 2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
The InChIKey is YPYUQVREBOQNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-6-8(15,2-3-16-6)5-13-4-7(14)9(10,11)12/h6-7,13-15H,2-5H2,1H3.
What are the key properties of 2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol has a molecular weight of 243.22 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).