3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol

C9H18F2N2O — CID 104860605

IUPAC3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC1CC(NCC(F)(F)CO)CN1C
InChIInChI=1S/C9H18F2N2O/c1-7-3-8(4-13(7)2)12-5-9(10,11)6-14/h7-8,12,14H,3-6H2,1-2H3
InChIKeyXZKXUVJAOMVRHE-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.30
Rot. Bonds4

About 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol

3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104860605) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104860605
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC1CC(NCC(F)(F)CO)CN1C
InChIInChI=1S/C9H18F2N2O/c1-7-3-8(4-13(7)2)12-5-9(10,11)6-14/h7-8,12,14H,3-6H2,1-2H3
InChIKeyXZKXUVJAOMVRHE-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(Aminomethyl)pyrrolidin-1-yl]propan-1-ol
CID 58858774
4-Methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol
CID 71921429
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
CID 66055561
(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol
CID 66837420
2-[[1-(1,1,1-Trifluoropropan-2-yl)pyrrolidin-3-yl]amino]ethanol
CID 117709661
3-(3-Aminopyrrolidin-1-yl)-2,2-difluoropropan-1-ol
CID 163295371
2-[[2-Fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 169812033
2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 171505326
1,1,1-Trifluoro-3-[(2-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]propan-2-ol
CID 172205616
2-[2-(3,3-Difluoropyrrolidin-2-yl)ethyl-methylamino]ethanol;ethane
CID 172334544
2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]ethanol
CID 172334597
N-[(4-fluoropyrrolidin-2-yl)methyl]-N-methyl-3-(trifluoromethoxy)propan-1-amine
CID 172334849

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol (CID 104860605) is 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol is CC1CC(NCC(F)(F)CO)CN1C.
What is the InChIKey of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is XZKXUVJAOMVRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-7-3-8(4-13(7)2)12-5-9(10,11)6-14/h7-8,12,14H,3-6H2,1-2H3.
What are the key properties of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol?
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 208.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).