1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C10H21F2NO3 — CID 106992238

IUPAC1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN(C)CC(F)F
InChIInChI=1S/C10H21F2NO3/c1-8(6-15-3)16-7-9(14)4-13(2)5-10(11)12/h8-10,14H,4-7H2,1-3H3
InChIKeyQFNOYJVBOCZIEG-UHFFFAOYSA-N
MW241.28 g/mol
LogP0.60
Rot. Bonds9

About 1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106992238) has the molecular formula C10H21F2NO3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106992238
Molecular FormulaC10H21F2NO3
Molecular Weight241.28 g/mol
Exact Mass241.15
IUPAC Name1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN(C)CC(F)F
InChIInChI=1S/C10H21F2NO3/c1-8(6-15-3)16-7-9(14)4-13(2)5-10(11)12/h8-10,14H,4-7H2,1-3H3
InChIKeyQFNOYJVBOCZIEG-UHFFFAOYSA-N
XLogP0.60
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712
1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846
1-(1-methoxypropan-2-yloxy)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 106991777
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol
CID 106991752
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 106991963
4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid
CID 106991392
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-(1-methoxypropan-2-yloxy)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 106991705
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 106992139
1-methoxy-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 62015935

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106992238) is 1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CN(C)CC(F)F.
What is the InChIKey of 1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is QFNOYJVBOCZIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO3/c1-8(6-15-3)16-7-9(14)4-13(2)5-10(11)12/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 241.28 g/mol, XLogP of 0.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106992238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).