2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide

C10H8F11NO2 — CID 134694488

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F11NO2/c1-3-4-22(2)5(23)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h3H,1,4H2,2H3
InChIKeyKNGNTRNWDBFFRW-UHFFFAOYSA-N
MW383.16 g/mol
LogP3.67
Rot. Bonds6

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide (PubChem CID 134694488) has the molecular formula C10H8F11NO2 and a molecular weight of 383.16 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide
PubChem CID134694488
Molecular FormulaC10H8F11NO2
Molecular Weight383.16 g/mol
Exact Mass383.04
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F11NO2/c1-3-4-22(2)5(23)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h3H,1,4H2,2H3
InChIKeyKNGNTRNWDBFFRW-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.16
LogP ≤ 53.67
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 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide (CID 134694488) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide is C=CCN(C)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide?
The InChIKey is KNGNTRNWDBFFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F11NO2/c1-3-4-22(2)5(23)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h3H,1,4H2,2H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide has a molecular weight of 383.16 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 134694488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).