[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol

C11H21F3N2O2 — CID 103366481

IUPAC[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(CC(CN)C(F)(F)F)CC(CO)O1
InChIInChI=1S/C11H21F3N2O2/c1-10(2)7-16(5-9(6-17)18-10)4-8(3-15)11(12,13)14/h8-9,17H,3-7,15H2,1-2H3
InChIKeyDLMWFWKPSFZJHA-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.60
Rot. Bonds4

About [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 103366481) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID103366481
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC Name[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(CC(CN)C(F)(F)F)CC(CO)O1
InChIInChI=1S/C11H21F3N2O2/c1-10(2)7-16(5-9(6-17)18-10)4-8(3-15)11(12,13)14/h8-9,17H,3-7,15H2,1-2H3
InChIKeyDLMWFWKPSFZJHA-UHFFFAOYSA-N
XLogP0.60
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperazin-1-yl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol
CID 66274811
[4-(4-Amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol
CID 81203344
[4-(4-Amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol
CID 81203792
[4-(3-Amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol
CID 81205428
[4-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylmorpholin-2-yl]methanol
CID 81205518
[4-(3-Amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol
CID 81206094
[4-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102932097
[4-(3-Amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102932227
[4-(4-Amino-1,1,1-trifluorobutan-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102932256
1-[[2-(Aminomethyl)-3,3,3-trifluoropropyl]-methylamino]-3-methoxypropan-2-ol
CID 103366245
[4-[2-(Aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]methanol
CID 103366419
2-[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol
CID 103366429

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 103366481) is [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(CC(CN)C(F)(F)F)CC(CO)O1.
What is the InChIKey of [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is DLMWFWKPSFZJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-10(2)7-16(5-9(6-17)18-10)4-8(3-15)11(12,13)14/h8-9,17H,3-7,15H2,1-2H3.
What are the key properties of [4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 270.30 g/mol, XLogP of 0.60, 4 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]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 103366481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).