4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol

C9H18FNO2 — CID 114952815

IUPAC4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCF)CC1(O)CCOCC1
InChIInChI=1S/C9H18FNO2/c1-11(5-4-10)8-9(12)2-6-13-7-3-9/h12H,2-8H2,1H3
InChIKeyRJSBLJYZRYCJSH-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.43
Rot. Bonds4

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

4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 114952815) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol
PubChem CID114952815
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CCF)CC1(O)CCOCC1
InChIInChI=1S/C9H18FNO2/c1-11(5-4-10)8-9(12)2-6-13-7-3-9/h12H,2-8H2,1H3
InChIKeyRJSBLJYZRYCJSH-UHFFFAOYSA-N
XLogP0.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-Fluoroethylamino)methyl]oxan-4-ol
CID 81131043
4-[(3-Fluoropropylamino)methyl]oxan-4-ol
CID 81131145
3,3,3-Trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanenitrile
CID 103368034
4-[[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]oxan-4-ol
CID 113654950
4-[[(2-Bromo-3,3,3-trifluoropropyl)-methylamino]methyl]oxan-4-ol
CID 114952442
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-ol
CID 114952655
4-[[Methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]methyl]oxan-4-ol
CID 114952671
4-[[Methyl-[2-(trifluoromethoxy)ethyl]amino]methyl]oxan-4-ol
CID 114952806
4-[[Methyl(4,4,4-trifluorobutyl)amino]methyl]oxan-4-ol
CID 114952838
4-[[3-Fluoropropyl(methyl)amino]methyl]oxan-4-ol
CID 114952889

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol (CID 114952815) is 4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol is CN(CCF)CC1(O)CCOCC1.
What is the InChIKey of 4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is RJSBLJYZRYCJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-11(5-4-10)8-9(12)2-6-13-7-3-9/h12H,2-8H2,1H3.
What are the key properties of 4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol?
4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 191.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoroethyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114952815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).