4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol

C11H21F3N2O2 — CID 103366484

IUPAC4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC(CN)C(F)(F)F)CC1(O)CCOCC1
InChIInChI=1S/C11H21F3N2O2/c1-16(7-9(6-15)11(12,13)14)8-10(17)2-4-18-5-3-10/h9,17H,2-8,15H2,1H3
InChIKeyUCIGBEGGOPFZRJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.60
Rot. Bonds5

About 4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol

4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol (PubChem CID 103366484) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol
PubChem CID103366484
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC(CN)C(F)(F)F)CC1(O)CCOCC1
InChIInChI=1S/C11H21F3N2O2/c1-16(7-9(6-15)11(12,13)14)8-10(17)2-4-18-5-3-10/h9,17H,2-8,15H2,1H3
InChIKeyUCIGBEGGOPFZRJ-UHFFFAOYSA-N
XLogP0.60
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol
CID 79597661
4-[(2,2-Difluoroethylamino)methyl]oxan-4-ol
CID 81130270
4-[(3,3,3-Trifluoropropylamino)methyl]oxan-4-ol
CID 81130526
4-[(2,2,2-Trifluoroethylamino)methyl]oxan-4-ol
CID 81130528
4-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]oxan-4-ol
CID 81130704
4-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol
CID 81130953
4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]oxan-4-ol
CID 81130959
4-[(2-Fluoroethylamino)methyl]oxan-4-ol
CID 81131043
4-[[2-(Trifluoromethoxy)ethylamino]methyl]oxan-4-ol
CID 81131136
4-[(3-Fluoropropylamino)methyl]oxan-4-ol
CID 81131145
4-[(1,1-Difluoropropan-2-ylamino)methyl]oxan-4-ol
CID 102869808
3,3,3-Trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanenitrile
CID 103367416

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol (CID 103366484) is 4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol is CN(CC(CN)C(F)(F)F)CC1(O)CCOCC1.
What is the InChIKey of 4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is UCIGBEGGOPFZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-16(7-9(6-15)11(12,13)14)8-10(17)2-4-18-5-3-10/h9,17H,2-8,15H2,1H3.
What are the key properties of 4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol?
4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 270.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 103366484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).