[4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C14H17F2NO4 — CID 81198572

IUPAC[4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2NO4/c1-9-8-20-12(7-18)6-17(9)13(19)10-2-4-11(5-3-10)21-14(15)16/h2-5,9,12,14,18H,6-8H2,1H3
InChIKeyBVIIYBLLXQLTTI-UHFFFAOYSA-N
MW301.29 g/mol
LogP1.51
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

[4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81198572) has the molecular formula C14H17F2NO4 and a molecular weight of 301.29 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81198572
Molecular FormulaC14H17F2NO4
Molecular Weight301.29 g/mol
Exact Mass301.11
IUPAC Name[4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2NO4/c1-9-8-20-12(7-18)6-17(9)13(19)10-2-4-11(5-3-10)21-14(15)16/h2-5,9,12,14,18H,6-8H2,1H3
InChIKeyBVIIYBLLXQLTTI-UHFFFAOYSA-N
XLogP1.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 81198572) is [4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is BVIIYBLLXQLTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4/c1-9-8-20-12(7-18)6-17(9)13(19)10-2-4-11(5-3-10)21-14(15)16/h2-5,9,12,14,18H,6-8H2,1H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
[4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 301.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81198572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).