1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol

C9H17F3N2O2 — CID 79071833

IUPAC1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
SMILESCN1CCOC(CNCC(O)C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2/c1-14-2-3-16-7(6-14)4-13-5-8(15)9(10,11)12/h7-8,13,15H,2-6H2,1H3
InChIKeyWQGOVFLDKCTZNK-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.17
Rot. Bonds4

About 1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol (PubChem CID 79071833) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
PubChem CID79071833
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
SMILESCN1CCOC(CNCC(O)C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2/c1-14-2-3-16-7(6-14)4-13-5-8(15)9(10,11)12/h7-8,13,15H,2-6H2,1H3
InChIKeyWQGOVFLDKCTZNK-UHFFFAOYSA-N
XLogP-0.17
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Amino-3-(morpholin-4-yl)propan-2-ol
CID 2832231
4-[(2R)-3-Amino-2-hydroxyprop-1-yl]morpholine
CID 1380974
1-(Methylamino)-3-(morpholin-4-yl)propan-2-ol
CID 4001215
1-Amino-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 16788372
1-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779871
N-methyl-1-[4-(trifluoromethyl)morpholin-2-yl]methanamine
CID 155354220
N-[[4-(2-fluoroethyl)morpholin-2-yl]methyl]ethanamine
CID 156334438
N-[[4-(2,2-difluoroethyl)morpholin-2-yl]methyl]-2-methylpropan-2-amine
CID 159141091
2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424213
2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424247
2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424386
N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 166684020

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol (CID 79071833) is 1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol is CN1CCOC(CNCC(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol?
The InChIKey is WQGOVFLDKCTZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-14-2-3-16-7(6-14)4-13-5-8(15)9(10,11)12/h7-8,13,15H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol has a molecular weight of 242.24 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 79071833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).