2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid

C10H17F2NO4 — CID 139341807

IUPAC2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid
SMILESCC(C)N1CC(COCC(=O)O)OC(F)(F)C1
InChIInChI=1S/C10H17F2NO4/c1-7(2)13-3-8(4-16-5-9(14)15)17-10(11,12)6-13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyLWNWPDHWYYPAIM-UHFFFAOYSA-N
MW253.24 g/mol
LogP0.79
Rot. Bonds5

About 2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid

2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid (PubChem CID 139341807) has the molecular formula C10H17F2NO4 and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid
PubChem CID139341807
Molecular FormulaC10H17F2NO4
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC Name2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid
SMILESCC(C)N1CC(COCC(=O)O)OC(F)(F)C1
InChIInChI=1S/C10H17F2NO4/c1-7(2)13-3-8(4-16-5-9(14)15)17-10(11,12)6-13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyLWNWPDHWYYPAIM-UHFFFAOYSA-N
XLogP0.79
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid (CID 139341807) is 2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid is CC(C)N1CC(COCC(=O)O)OC(F)(F)C1.
What is the InChIKey of 2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid?
The InChIKey is LWNWPDHWYYPAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO4/c1-7(2)13-3-8(4-16-5-9(14)15)17-10(11,12)6-13/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid?
2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid has a molecular weight of 253.24 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,6-difluoro-4-propan-2-ylmorpholin-2-yl)methoxy]acetic acid is sourced from PubChem (CID 139341807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).