3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol

C8H17FN2O — CID 114761269

IUPAC3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CCF)CC1(O)CCNC1
InChIInChI=1S/C8H17FN2O/c1-11(5-3-9)7-8(12)2-4-10-6-8/h10,12H,2-7H2,1H3
InChIKeyMWKRYBYFTMHMLL-UHFFFAOYSA-N
MW176.23 g/mol
LogP-0.39
Rot. Bonds4

About 3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol

3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 114761269) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is 3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
PubChem CID114761269
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CCF)CC1(O)CCNC1
InChIInChI=1S/C8H17FN2O/c1-11(5-3-9)7-8(12)2-4-10-6-8/h10,12H,2-7H2,1H3
InChIKeyMWKRYBYFTMHMLL-UHFFFAOYSA-N
XLogP-0.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylpyrrolidin-3-ol
CID 14578458
(3R)-3-Methylpyrrolidin-3-ol
CID 55288331
3-[(Dimethylamino)methyl]pyrrolidin-3-ol dihydrochloride
CID 126797033
3-((Dimethylamino)methyl)pyrrolidin-3-ol
CID 14578459
3-(Fluoromethyl)pyrrolidin-3-ol
CID 72208174
Azane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 121304840
4-Fluoro-3-methylpyrrolidin-3-ol
CID 144372192
Ethane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 170646332
3-((4-Methyl-1,4-diazepan-1-yl)methyl)pyrrolidin-3-ol
CID 66509758
2-Methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol
CID 65337886
1-(3-Fluoropropylamino)-2-methylbutan-2-ol
CID 81107199
3-(Aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 83915933

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol (CID 114761269) is 3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol is CN(CCF)CC1(O)CCNC1.
What is the InChIKey of 3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is MWKRYBYFTMHMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O/c1-11(5-3-9)7-8(12)2-4-10-6-8/h10,12H,2-7H2,1H3.
What are the key properties of 3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol?
3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 176.23 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114761269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).