2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid

C11H19F2NO4 — CID 139341884

IUPAC2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid
SMILESCC(C)(C)N1CC(COCC(=O)O)OC(F)(F)C1
InChIInChI=1S/C11H19F2NO4/c1-10(2,3)14-4-8(5-17-6-9(15)16)18-11(12,13)7-14/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyKGRIDOFDFUXCMK-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.18
Rot. Bonds4

About 2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid

2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid (PubChem CID 139341884) has the molecular formula C11H19F2NO4 and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid
PubChem CID139341884
Molecular FormulaC11H19F2NO4
Molecular Weight267.27 g/mol
Exact Mass267.13
IUPAC Name2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid
SMILESCC(C)(C)N1CC(COCC(=O)O)OC(F)(F)C1
InChIInChI=1S/C11H19F2NO4/c1-10(2,3)14-4-8(5-17-6-9(15)16)18-11(12,13)7-14/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyKGRIDOFDFUXCMK-UHFFFAOYSA-N
XLogP1.18
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid (CID 139341884) is 2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid is CC(C)(C)N1CC(COCC(=O)O)OC(F)(F)C1.
What is the InChIKey of 2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid?
The InChIKey is KGRIDOFDFUXCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO4/c1-10(2,3)14-4-8(5-17-6-9(15)16)18-11(12,13)7-14/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid?
2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid has a molecular weight of 267.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-6,6-difluoromorpholin-2-yl)methoxy]acetic acid is sourced from PubChem (CID 139341884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).