[4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone

C17H21F2NO3 — CID 75392484

IUPAC[4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)CCO1
InChIInChI=1S/C17H21F2NO3/c1-12-11-20(6-9-23-12)16(21)17(4-7-22-8-5-17)14-3-2-13(18)10-15(14)19/h2-3,10,12H,4-9,11H2,1H3
InChIKeyRKESHOILBHHLOT-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.26
Rot. Bonds2

About [4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone

[4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 75392484) has the molecular formula C17H21F2NO3 and a molecular weight of 325.36 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone
PubChem CID75392484
Molecular FormulaC17H21F2NO3
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name[4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)CCO1
InChIInChI=1S/C17H21F2NO3/c1-12-11-20(6-9-23-12)16(21)17(4-7-22-8-5-17)14-3-2-13(18)10-15(14)19/h2-3,10,12H,4-9,11H2,1H3
InChIKeyRKESHOILBHHLOT-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone (CID 75392484) is [4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)CCO1.
What is the InChIKey of [4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is RKESHOILBHHLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO3/c1-12-11-20(6-9-23-12)16(21)17(4-7-22-8-5-17)14-3-2-13(18)10-15(14)19/h2-3,10,12H,4-9,11H2,1H3.
What are the key properties of [4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone?
[4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 325.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 75392484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).