2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine

C9H17F2NO — CID 153494051

IUPAC2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)12-3-4-13-8(6-12)5-9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyFDJVLHJPXDEVPJ-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds3

About 2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine

2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine (PubChem CID 153494051) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine
PubChem CID153494051
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(CC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)12-3-4-13-8(6-12)5-9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyFDJVLHJPXDEVPJ-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine (CID 153494051) is 2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(CC(F)F)C1.
What is the InChIKey of 2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine?
The InChIKey is FDJVLHJPXDEVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)12-3-4-13-8(6-12)5-9(10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine?
2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 153494051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).