3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol

C9H17F3N2O — CID 114761177

IUPAC3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CCC(F)(F)F)CC1(O)CCNC1
InChIInChI=1S/C9H17F3N2O/c1-14(5-3-9(10,11)12)7-8(15)2-4-13-6-8/h13,15H,2-7H2,1H3
InChIKeySDGNTVMOOZWGMQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.60
Rot. Bonds4

About 3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol

3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 114761177) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol
PubChem CID114761177
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CCC(F)(F)F)CC1(O)CCNC1
InChIInChI=1S/C9H17F3N2O/c1-14(5-3-9(10,11)12)7-8(15)2-4-13-6-8/h13,15H,2-7H2,1H3
InChIKeySDGNTVMOOZWGMQ-UHFFFAOYSA-N
XLogP0.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)pyrrolidin-3-ol
CID 50990624
3-(Trifluoromethyl)pyrrolidin-3-ol hydrochloride
CID 54594885
3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride
CID 121552524
3-[(Dimethylamino)methyl]pyrrolidin-3-ol dihydrochloride
CID 126797033
3-((Dimethylamino)methyl)pyrrolidin-3-ol
CID 14578459
(3S)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 52420888
(3R)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 52420890
3-(Difluoromethyl)pyrrolidin-3-ol
CID 71756932
4-[(3,3-Difluoropyrrolidin-1-yl)methyl]piperidin-4-ol
CID 118958665
Azane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 121304840
4-Fluoro-3-methylpyrrolidin-3-ol
CID 144372192
Ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 164869971

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol (CID 114761177) is 3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol is CN(CCC(F)(F)F)CC1(O)CCNC1.
What is the InChIKey of 3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is SDGNTVMOOZWGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-14(5-3-9(10,11)12)7-8(15)2-4-13-6-8/h13,15H,2-7H2,1H3.
What are the key properties of 3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol?
3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 226.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114761177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).