(3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine

C8H13F2NO — CID 139520901

IUPAC(3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine
SMILESCN1CCOC/C1=C\C(C)(F)F
InChIInChI=1S/C8H13F2NO/c1-8(9,10)5-7-6-12-4-3-11(7)2/h5H,3-4,6H2,1-2H3/b7-5+
InChIKeyNRCRICBGGRPDNG-FNORWQNLSA-N
MW177.19 g/mol
LogP1.49
Rot. Bonds1

About (3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine

(3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine (PubChem CID 139520901) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is (3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine.

Molecular Properties

Compound Name(3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine
PubChem CID139520901
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name(3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine
SMILESCN1CCOC/C1=C\C(C)(F)F
InChIInChI=1S/C8H13F2NO/c1-8(9,10)5-7-6-12-4-3-11(7)2/h5H,3-4,6H2,1-2H3/b7-5+
InChIKeyNRCRICBGGRPDNG-FNORWQNLSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine?
The IUPAC name of (3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine (CID 139520901) is (3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine.
What is the SMILES notation for (3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine?
The canonical SMILES for (3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine is CN1CCOC/C1=C\C(C)(F)F.
What is the InChIKey of (3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine?
The InChIKey is NRCRICBGGRPDNG-FNORWQNLSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-8(9,10)5-7-6-12-4-3-11(7)2/h5H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of (3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine?
(3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine has a molecular weight of 177.19 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2,2-difluoropropylidene)-4-methylmorpholine is sourced from PubChem (CID 139520901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).