3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine

C9H16F2N2O — CID 116991609

IUPAC3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine
SMILESFC1(F)CCN(CC2COCCN2)C1
InChIInChI=1S/C9H16F2N2O/c10-9(11)1-3-13(7-9)5-8-6-14-4-2-12-8/h8,12H,1-7H2
InChIKeySOKRKJANGNXGBN-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.32
Rot. Bonds2

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

3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine (PubChem CID 116991609) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine
PubChem CID116991609
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine
SMILESFC1(F)CCN(CC2COCCN2)C1
InChIInChI=1S/C9H16F2N2O/c10-9(11)1-3-13(7-9)5-8-6-14-4-2-12-8/h8,12H,1-7H2
InChIKeySOKRKJANGNXGBN-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine?
The IUPAC name of 3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine (CID 116991609) is 3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine.
What is the SMILES notation for 3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine?
The canonical SMILES for 3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine is FC1(F)CCN(CC2COCCN2)C1.
What is the InChIKey of 3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine?
The InChIKey is SOKRKJANGNXGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c10-9(11)1-3-13(7-9)5-8-6-14-4-2-12-8/h8,12H,1-7H2.
What are the key properties of 3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine?
3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine has a molecular weight of 206.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine is sourced from PubChem (CID 116991609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).