2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide

C9H13F4NO2 — CID 103528737

IUPAC2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCOC)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c1-3-4-14(5-6-16-2)8(15)9(12,13)7(10)11/h3,7H,1,4-6H2,2H3
InChIKeyCMEKAGKYROZGRB-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.55
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide

2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide (PubChem CID 103528737) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide
PubChem CID103528737
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCOC)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c1-3-4-14(5-6-16-2)8(15)9(12,13)7(10)11/h3,7H,1,4-6H2,2H3
InChIKeyCMEKAGKYROZGRB-UHFFFAOYSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide (CID 103528737) is 2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide is C=CCN(CCOC)C(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide?
The InChIKey is CMEKAGKYROZGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c1-3-4-14(5-6-16-2)8(15)9(12,13)7(10)11/h3,7H,1,4-6H2,2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide?
2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide has a molecular weight of 243.20 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 103528737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).