2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide

C13H8F17NO3 — CID 134694578

IUPAC2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H8F17NO3/c1-3-4-31(2)5(32)6(14,9(18,19)20)33-13(29,30)8(17,11(24,25)26)34-12(27,28)7(15,16)10(21,22)23/h3H,1,4H2,2H3
InChIKeyVOTAWWQJFACFOD-UHFFFAOYSA-N
MW549.18 g/mol
LogP5.50
Rot. Bonds9

About 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide (PubChem CID 134694578) has the molecular formula C13H8F17NO3 and a molecular weight of 549.18 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide
PubChem CID134694578
Molecular FormulaC13H8F17NO3
Molecular Weight549.18 g/mol
Exact Mass549.02
IUPAC Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H8F17NO3/c1-3-4-31(2)5(32)6(14,9(18,19)20)33-13(29,30)8(17,11(24,25)26)34-12(27,28)7(15,16)10(21,22)23/h3H,1,4H2,2H3
InChIKeyVOTAWWQJFACFOD-UHFFFAOYSA-N
XLogP5.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.18
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Allylperfluoro-2-(2-propoxypropoxy)propanamide
CID 14204129
N,N-Diethyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanamide
CID 71672887
N-methyl-N-allyl-perfluoro-2-methyl-3-oxa-hexanamide
CID 134694488
3,3,3-trifluoro-1-(1-methyl-2H-azet-1-ium-1-yl)-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propan-1-one
CID 22966653
3,3,3-trifluoro-N-methyl-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide
CID 22966665
N-allylperfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanamide
CID 53714462
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-N-methyl-N-prop-2-enylpropanamide
CID 54025923
2,3,3,3-tetrafluoro-2-(fluoromethoxy)-N-methyl-N-prop-2-enylpropanamide
CID 167353316
N-ethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide
CID 177282150
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N,N-dipropylpropanamide
CID 71673115
(2R)-N,N-diethyl-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
CID 162972299
(2R)-N,N-diethyl-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
CID 162972300

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide (CID 134694578) is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide is C=CCN(C)C(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide?
The InChIKey is VOTAWWQJFACFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F17NO3/c1-3-4-31(2)5(32)6(14,9(18,19)20)33-13(29,30)8(17,11(24,25)26)34-12(27,28)7(15,16)10(21,22)23/h3H,1,4H2,2H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide?
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide has a molecular weight of 549.18 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 134694578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).