3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine

C10H20F2N2S — CID 143268139

IUPAC3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine
SMILESCN1CCC(F)(F)C1.CN1CCSCC1
InChIInChI=1S/C5H9F2N.C5H11NS/c1-8-3-2-5(6,7)4-8;1-6-2-4-7-5-3-6/h2-4H2,1H3;2-5H2,1H3
InChIKeyMMTDSUYTQGOFCE-UHFFFAOYSA-N
MW238.35 g/mol
LogP1.62
Rot. Bonds

About 3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine

3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine (PubChem CID 143268139) has the molecular formula C10H20F2N2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine.

Molecular Properties

Compound Name3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine
PubChem CID143268139
Molecular FormulaC10H20F2N2S
Molecular Weight238.35 g/mol
Exact Mass238.13
IUPAC Name3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine
SMILESCN1CCC(F)(F)C1.CN1CCSCC1
InChIInChI=1S/C5H9F2N.C5H11NS/c1-8-3-2-5(6,7)4-8;1-6-2-4-7-5-3-6/h2-4H2,1H3;2-5H2,1H3
InChIKeyMMTDSUYTQGOFCE-UHFFFAOYSA-N
XLogP1.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-Difluoroethyl)-2-ethylthiomorpholine
CID 130739950
4-(2,2-Difluoroethyl)-2,6-dimethylthiomorpholine
CID 130918019
4-(2-Fluorobutyl)-2,6-dimethylthiomorpholine
CID 131067271
4-(3-Fluorobutyl)-2-methylthiomorpholine
CID 131155155
1-Methylpyrrolidine;4-methylthiomorpholine
CID 141911870
4-Methyl-2-(pyrrolidin-1-ylmethyl)thiomorpholine
CID 154528910
4-Methylthiomorpholine;1-propan-2-ylpyrrolidine
CID 178674716
8-Thia-5-azoniaspiro[4.5]decane
CID 177735216

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine?
The IUPAC name of 3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine (CID 143268139) is 3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine.
What is the SMILES notation for 3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine?
The canonical SMILES for 3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine is CN1CCC(F)(F)C1.CN1CCSCC1.
What is the InChIKey of 3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine?
The InChIKey is MMTDSUYTQGOFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.C5H11NS/c1-8-3-2-5(6,7)4-8;1-6-2-4-7-5-3-6/h2-4H2,1H3;2-5H2,1H3.
What are the key properties of 3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine?
3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine has a molecular weight of 238.35 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpyrrolidine;4-methylthiomorpholine is sourced from PubChem (CID 143268139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).