3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol

C10H19F3N2O — CID 114761109

IUPAC3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CCCC(F)(F)F)CC1(O)CCNC1
InChIInChI=1S/C10H19F3N2O/c1-15(6-2-3-10(11,12)13)8-9(16)4-5-14-7-9/h14,16H,2-8H2,1H3
InChIKeyVAPULIWNDUIHAQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.99
Rot. Bonds5

About 3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol

3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 114761109) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol
PubChem CID114761109
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CCCC(F)(F)F)CC1(O)CCNC1
InChIInChI=1S/C10H19F3N2O/c1-15(6-2-3-10(11,12)13)8-9(16)4-5-14-7-9/h14,16H,2-8H2,1H3
InChIKeyVAPULIWNDUIHAQ-UHFFFAOYSA-N
XLogP0.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.99
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(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol (CID 114761109) is 3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol is CN(CCCC(F)(F)F)CC1(O)CCNC1.
What is the InChIKey of 3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is VAPULIWNDUIHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-15(6-2-3-10(11,12)13)8-9(16)4-5-14-7-9/h14,16H,2-8H2,1H3.
What are the key properties of 3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol?
3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 240.27 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114761109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).