3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol

C8H16F2N2O — CID 114761041

IUPAC3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CC(F)F)CC1(O)CCNC1
InChIInChI=1S/C8H16F2N2O/c1-12(4-7(9)10)6-8(13)2-3-11-5-8/h7,11,13H,2-6H2,1H3
InChIKeyGKDNFSSYSYZGFK-UHFFFAOYSA-N
MW194.22 g/mol
LogP-0.09
Rot. Bonds4

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

3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 114761041) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
PubChem CID114761041
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CC(F)F)CC1(O)CCNC1
InChIInChI=1S/C8H16F2N2O/c1-12(4-7(9)10)6-8(13)2-3-11-5-8/h7,11,13H,2-6H2,1H3
InChIKeyGKDNFSSYSYZGFK-UHFFFAOYSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 5-0.09
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-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol (CID 114761041) is 3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol is CN(CC(F)F)CC1(O)CCNC1.
What is the InChIKey of 3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is GKDNFSSYSYZGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-12(4-7(9)10)6-8(13)2-3-11-5-8/h7,11,13H,2-6H2,1H3.
What are the key properties of 3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol?
3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 194.22 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114761041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).