4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol

C9H17F2NO2 — CID 115868923

IUPAC4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CC(F)F)CC1(O)CCOCC1
InChIInChI=1S/C9H17F2NO2/c1-12(6-8(10)11)7-9(13)2-4-14-5-3-9/h8,13H,2-7H2,1H3
InChIKeyZNFDOTLNCJXDQD-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.72
Rot. Bonds4

About 4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol

4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 115868923) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol
PubChem CID115868923
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CC(F)F)CC1(O)CCOCC1
InChIInChI=1S/C9H17F2NO2/c1-12(6-8(10)11)7-9(13)2-4-14-5-3-9/h8,13H,2-7H2,1H3
InChIKeyZNFDOTLNCJXDQD-UHFFFAOYSA-N
XLogP0.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3,3-Bis(trifluoromethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 91645935
1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-4-(trifluoromethyl)piperidin-4-ol
CID 70962676
4-Methyl-3-dimethylamino-tetrahydropyran-4-ol
CID 15567023
1,1,1-Trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63901653
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-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]oxan-4-ol
CID 81130959
4-[[2-(Trifluoromethoxy)ethylamino]methyl]oxan-4-ol
CID 81131136
4-[(1,1-Difluoropropan-2-ylamino)methyl]oxan-4-ol
CID 102869808
4-[[[2-(Aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol
CID 103366484

Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol (CID 115868923) is 4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol is CN(CC(F)F)CC1(O)CCOCC1.
What is the InChIKey of 4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is ZNFDOTLNCJXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-12(6-8(10)11)7-9(13)2-4-14-5-3-9/h8,13H,2-7H2,1H3.
What are the key properties of 4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol?
4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 209.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-difluoroethyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 115868923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).