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

C9H6F11NO2 — CID 162802078

IUPAC(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F11NO2/c1-2-3-21-4(22)5(10,7(13,14)15)23-9(19,20)6(11,12)8(16,17)18/h2H,1,3H2,(H,21,22)/t5-/m1/s1
InChIKeyJQQZWNQVWNPMOY-RXMQYKEDSA-N
MW369.13 g/mol
LogP3.32
Rot. Bonds6

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

(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide (PubChem CID 162802078) has the molecular formula C9H6F11NO2 and a molecular weight of 369.13 g/mol. Its IUPAC name is (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide
PubChem CID162802078
Molecular FormulaC9H6F11NO2
Molecular Weight369.13 g/mol
Exact Mass369.02
IUPAC Name(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F11NO2/c1-2-3-21-4(22)5(10,7(13,14)15)23-9(19,20)6(11,12)8(16,17)18/h2H,1,3H2,(H,21,22)/t5-/m1/s1
InChIKeyJQQZWNQVWNPMOY-RXMQYKEDSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.13
LogP ≤ 53.32
H-Bond Donors ≤ 51
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 (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide (CID 162802078) is (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide?
The InChIKey is JQQZWNQVWNPMOY-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H6F11NO2/c1-2-3-21-4(22)5(10,7(13,14)15)23-9(19,20)6(11,12)8(16,17)18/h2H,1,3H2,(H,21,22)/t5-/m1/s1.
What are the key properties of (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide?
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide has a molecular weight of 369.13 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 162802078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).