3,3-difluoro-1-methylpyrrolidine;propane

C8H17F2N — CID 143065590

IUPAC3,3-difluoro-1-methylpyrrolidine;propane
SMILESCCC.CN1CCC(F)(F)C1
InChIInChI=1S/C5H9F2N.C3H8/c1-8-3-2-5(6,7)4-8;1-3-2/h2-4H2,1H3;3H2,1-2H3
InChIKeyGZCGIQRDSNTFNQ-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.37
Rot. Bonds

About 3,3-difluoro-1-methylpyrrolidine;propane

3,3-difluoro-1-methylpyrrolidine;propane (PubChem CID 143065590) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpyrrolidine;propane.

Molecular Properties

Compound Name3,3-difluoro-1-methylpyrrolidine;propane
PubChem CID143065590
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC Name3,3-difluoro-1-methylpyrrolidine;propane
SMILESCCC.CN1CCC(F)(F)C1
InChIInChI=1S/C5H9F2N.C3H8/c1-8-3-2-5(6,7)4-8;1-3-2/h2-4H2,1H3;3H2,1-2H3
InChIKeyGZCGIQRDSNTFNQ-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
4,4-difluoro-1-methylpiperidine;ethane;ethanol
CID 166533902
3,3-diethyl-1-methylpyrrolidine;ethane
CID 177188289
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455
4,4-difluoro-1-methylpiperidine;2-ethoxypropane
CID 168995938
3,3-difluoro-1-heptylpyrrolidine
CID 174988522
3,3-difluoro-1-methylazetidine;ethane;methane
CID 153377550
2,7-dimethyl-2,7-diazaspiro[3.4]octane;ethane
CID 143122018
3,3-difluoro-1-methylpiperidine-4,4-diol
CID 169410012
3,3-difluoro-1-methylsulfanylpyrrolidine
CID 123776215
N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 178011017
4-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine
CID 117007578

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpyrrolidine;propane?
The IUPAC name of 3,3-difluoro-1-methylpyrrolidine;propane (CID 143065590) is 3,3-difluoro-1-methylpyrrolidine;propane.
What is the SMILES notation for 3,3-difluoro-1-methylpyrrolidine;propane?
The canonical SMILES for 3,3-difluoro-1-methylpyrrolidine;propane is CCC.CN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylpyrrolidine;propane?
The InChIKey is GZCGIQRDSNTFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.C3H8/c1-8-3-2-5(6,7)4-8;1-3-2/h2-4H2,1H3;3H2,1-2H3.
What are the key properties of 3,3-difluoro-1-methylpyrrolidine;propane?
3,3-difluoro-1-methylpyrrolidine;propane has a molecular weight of 165.23 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpyrrolidine;propane is sourced from PubChem (CID 143065590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).