2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine

C10H18F2N2O2 — CID 170606653

IUPAC2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine
SMILESCN1CCOC(COC2CNCC2(F)F)C1
InChIInChI=1S/C10H18F2N2O2/c1-14-2-3-15-8(5-14)6-16-9-4-13-7-10(9,11)12/h8-9,13H,2-7H2,1H3
InChIKeyXVGUZCPCHNTLBW-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.06
Rot. Bonds3

About 2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine

2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine (PubChem CID 170606653) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine
PubChem CID170606653
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine
SMILESCN1CCOC(COC2CNCC2(F)F)C1
InChIInChI=1S/C10H18F2N2O2/c1-14-2-3-15-8(5-14)6-16-9-4-13-7-10(9,11)12/h8-9,13H,2-7H2,1H3
InChIKeyXVGUZCPCHNTLBW-UHFFFAOYSA-N
XLogP-0.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine?
The IUPAC name of 2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine (CID 170606653) is 2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine?
The canonical SMILES for 2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine is CN1CCOC(COC2CNCC2(F)F)C1.
What is the InChIKey of 2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine?
The InChIKey is XVGUZCPCHNTLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-14-2-3-15-8(5-14)6-16-9-4-13-7-10(9,11)12/h8-9,13H,2-7H2,1H3.
What are the key properties of 2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine?
2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine has a molecular weight of 236.26 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoropyrrolidin-3-yl)oxymethyl]-4-methylmorpholine is sourced from PubChem (CID 170606653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).