2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide

C10H15F6NO4 — CID 88856968

IUPAC2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide
SMILESCOCCOCCNC(=O)C(F)(F)OC(F)(F)C(C)(F)F
InChIInChI=1S/C10H15F6NO4/c1-8(11,12)10(15,16)21-9(13,14)7(18)17-3-4-20-6-5-19-2/h3-6H2,1-2H3,(H,17,18)
InChIKeySDYYFZMTJZPRSI-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.62
Rot. Bonds10

About 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide

2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide (PubChem CID 88856968) has the molecular formula C10H15F6NO4 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide
PubChem CID88856968
Molecular FormulaC10H15F6NO4
Molecular Weight327.22 g/mol
Exact Mass327.09
IUPAC Name2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide
SMILESCOCCOCCNC(=O)C(F)(F)OC(F)(F)C(C)(F)F
InChIInChI=1S/C10H15F6NO4/c1-8(11,12)10(15,16)21-9(13,14)7(18)17-3-4-20-6-5-19-2/h3-6H2,1-2H3,(H,17,18)
InChIKeySDYYFZMTJZPRSI-UHFFFAOYSA-N
XLogP1.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
The IUPAC name of 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide (CID 88856968) is 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide is COCCOCCNC(=O)C(F)(F)OC(F)(F)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
The InChIKey is SDYYFZMTJZPRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO4/c1-8(11,12)10(15,16)21-9(13,14)7(18)17-3-4-20-6-5-19-2/h3-6H2,1-2H3,(H,17,18).
What are the key properties of 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide?
2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide has a molecular weight of 327.22 g/mol, XLogP of 1.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 88856968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).