2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol

C11H22F2N2O2 — CID 106176565

IUPAC2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol
SMILESCC(C)N1CCOC(CNCC(F)(F)CO)C1
InChIInChI=1S/C11H22F2N2O2/c1-9(2)15-3-4-17-10(6-15)5-14-7-11(12,13)8-16/h9-10,14,16H,3-8H2,1-2H3
InChIKeyWRUIZJZUDASHCH-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.31
Rot. Bonds6

About 2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol

2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol (PubChem CID 106176565) has the molecular formula C11H22F2N2O2 and a molecular weight of 252.30 g/mol. Its IUPAC name is 2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol
PubChem CID106176565
Molecular FormulaC11H22F2N2O2
Molecular Weight252.30 g/mol
Exact Mass252.16
IUPAC Name2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol
SMILESCC(C)N1CCOC(CNCC(F)(F)CO)C1
InChIInChI=1S/C11H22F2N2O2/c1-9(2)15-3-4-17-10(6-15)5-14-7-11(12,13)8-16/h9-10,14,16H,3-8H2,1-2H3
InChIKeyWRUIZJZUDASHCH-UHFFFAOYSA-N
XLogP0.31
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol with MolForge

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Related Compounds

1-(Methylamino)-3-(morpholin-4-yl)propan-2-ol
CID 4001215
1-[[(4S)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropentyl]amino]propan-1-ol
CID 71080624
3-[[1-[3-(Tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol
CID 134533548
N-[[4-(2-fluoroethyl)morpholin-2-yl]methyl]propan-2-amine
CID 156334456
N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 166684020
N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 166926578
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanol
CID 167166940
N-[[4-(2,2-difluoroethyl)morpholin-2-yl]methyl]propan-2-amine
CID 167249324
4-(2-hydroxyethyl)-2-(N-methylamino-methyl)morpholine
CID 79006886
1,1,1-Trifluoro-3-[(2-morpholinoethyl)amino]-2-propanol
CID 3760585
(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol
CID 7062085
(2S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-1,1,1-trifluoropropan-2-ol
CID 7062087

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol (CID 106176565) is 2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol is CC(C)N1CCOC(CNCC(F)(F)CO)C1.
What is the InChIKey of 2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol?
The InChIKey is WRUIZJZUDASHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2/c1-9(2)15-3-4-17-10(6-15)5-14-7-11(12,13)8-16/h9-10,14,16H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol has a molecular weight of 252.30 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 106176565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).