2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid

C9H14F2N2O4 — CID 115408138

IUPAC2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCC(F)F)CCO1
InChIInChI=1S/C9H14F2N2O4/c10-7(11)4-12-9(16)13-1-2-17-6(5-13)3-8(14)15/h6-7H,1-5H2,(H,12,16)(H,14,15)
InChIKeyMTCONPRGNATHHJ-UHFFFAOYSA-N
MW252.22 g/mol
LogP0.14
Rot. Bonds4

About 2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid

2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid (PubChem CID 115408138) has the molecular formula C9H14F2N2O4 and a molecular weight of 252.22 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid
PubChem CID115408138
Molecular FormulaC9H14F2N2O4
Molecular Weight252.22 g/mol
Exact Mass252.09
IUPAC Name2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCC(F)F)CCO1
InChIInChI=1S/C9H14F2N2O4/c10-7(11)4-12-9(16)13-1-2-17-6(5-13)3-8(14)15/h6-7H,1-5H2,(H,12,16)(H,14,15)
InChIKeyMTCONPRGNATHHJ-UHFFFAOYSA-N
XLogP0.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid (CID 115408138) is 2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)NCC(F)F)CCO1.
What is the InChIKey of 2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid?
The InChIKey is MTCONPRGNATHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O4/c10-7(11)4-12-9(16)13-1-2-17-6(5-13)3-8(14)15/h6-7H,1-5H2,(H,12,16)(H,14,15).
What are the key properties of 2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid?
2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid has a molecular weight of 252.22 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethylcarbamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 115408138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).