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

C8H13F2NO3 — CID 66433888

IUPAC2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CC(F)F)CCO1
InChIInChI=1S/C8H13F2NO3/c9-7(10)5-11-1-2-14-6(4-11)3-8(12)13/h6-7H,1-5H2,(H,12,13)
InChIKeyAMQDDLZYSPXNGR-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.43
Rot. Bonds4

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

2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid (PubChem CID 66433888) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid
PubChem CID66433888
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CC(F)F)CCO1
InChIInChI=1S/C8H13F2NO3/c9-7(10)5-11-1-2-14-6(4-11)3-8(12)13/h6-7H,1-5H2,(H,12,13)
InChIKeyAMQDDLZYSPXNGR-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid (CID 66433888) is 2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(CC(F)F)CCO1.
What is the InChIKey of 2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid?
The InChIKey is AMQDDLZYSPXNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c9-7(10)5-11-1-2-14-6(4-11)3-8(12)13/h6-7H,1-5H2,(H,12,13).
What are the key properties of 2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid?
2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid has a molecular weight of 209.19 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).