2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide

C12H14F11NO2 — CID 71673114

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F11NO2/c1-3-5-24(6-4-2)7(25)8(13,10(16,17)18)26-12(22,23)9(14,15)11(19,20)21/h3-6H2,1-2H3
InChIKeyRWGRYUPOMRGFBC-UHFFFAOYSA-N
MW413.23 g/mol
LogP4.67
Rot. Bonds8

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide (PubChem CID 71673114) has the molecular formula C12H14F11NO2 and a molecular weight of 413.23 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide
PubChem CID71673114
Molecular FormulaC12H14F11NO2
Molecular Weight413.23 g/mol
Exact Mass413.08
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F11NO2/c1-3-5-24(6-4-2)7(25)8(13,10(16,17)18)26-12(22,23)9(14,15)11(19,20)21/h3-6H2,1-2H3
InChIKeyRWGRYUPOMRGFBC-UHFFFAOYSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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,N-dipropylpropanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide (CID 71673114) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide is CCCN(CCC)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,N-dipropylpropanamide?
The InChIKey is RWGRYUPOMRGFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F11NO2/c1-3-5-24(6-4-2)7(25)8(13,10(16,17)18)26-12(22,23)9(14,15)11(19,20)21/h3-6H2,1-2H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipropylpropanamide has a molecular weight of 413.23 g/mol, XLogP of 4.67, 8 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,N-dipropylpropanamide is sourced from PubChem (CID 71673114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).