3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol

C9H19FN2O — CID 114761150

IUPAC3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CCCF)CC1(O)CCNC1
InChIInChI=1S/C9H19FN2O/c1-12(6-2-4-10)8-9(13)3-5-11-7-9/h11,13H,2-8H2,1H3
InChIKeyIUEGHRRLAJVOKH-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.00
Rot. Bonds5

About 3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol

3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 114761150) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol
PubChem CID114761150
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CCCF)CC1(O)CCNC1
InChIInChI=1S/C9H19FN2O/c1-12(6-2-4-10)8-9(13)3-5-11-7-9/h11,13H,2-8H2,1H3
InChIKeyIUEGHRRLAJVOKH-UHFFFAOYSA-N
XLogP0.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.00
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-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol (CID 114761150) is 3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol is CN(CCCF)CC1(O)CCNC1.
What is the InChIKey of 3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is IUEGHRRLAJVOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O/c1-12(6-2-4-10)8-9(13)3-5-11-7-9/h11,13H,2-8H2,1H3.
What are the key properties of 3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol?
3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 190.26 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114761150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).