3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine

C10H18F2N2O — CID 116991612

IUPAC3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine
SMILESFC1(F)CCN(CCC2COCCN2)C1
InChIInChI=1S/C10H18F2N2O/c11-10(12)2-5-14(8-10)4-1-9-7-15-6-3-13-9/h9,13H,1-8H2
InChIKeyUSVNUNLSMZTHEW-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.71
Rot. Bonds3

About 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine

3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine (PubChem CID 116991612) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine
PubChem CID116991612
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine
SMILESFC1(F)CCN(CCC2COCCN2)C1
InChIInChI=1S/C10H18F2N2O/c11-10(12)2-5-14(8-10)4-1-9-7-15-6-3-13-9/h9,13H,1-8H2
InChIKeyUSVNUNLSMZTHEW-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine?
The IUPAC name of 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine (CID 116991612) is 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine.
What is the SMILES notation for 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine?
The canonical SMILES for 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine is FC1(F)CCN(CCC2COCCN2)C1.
What is the InChIKey of 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine?
The InChIKey is USVNUNLSMZTHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c11-10(12)2-5-14(8-10)4-1-9-7-15-6-3-13-9/h9,13H,1-8H2.
What are the key properties of 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine?
3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine has a molecular weight of 220.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine is sourced from PubChem (CID 116991612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).