(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide

C14H10F11NO2 — CID 162812285

IUPAC(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H10F11NO2/c1-7(8-5-3-2-4-6-8)26-9(27)10(15,12(18,19)20)28-14(24,25)11(16,17)13(21,22)23/h2-7H,1H3,(H,26,27)/t7-,10+/m0/s1
InChIKeyJIOOYMLWOFURHL-OIBJUYFYSA-N
MW433.22 g/mol
LogP4.90
Rot. Bonds6

About (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide

(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 162812285) has the molecular formula C14H10F11NO2 and a molecular weight of 433.22 g/mol. Its IUPAC name is (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID162812285
Molecular FormulaC14H10F11NO2
Molecular Weight433.22 g/mol
Exact Mass433.05
IUPAC Name(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H10F11NO2/c1-7(8-5-3-2-4-6-8)26-9(27)10(15,12(18,19)20)28-14(24,25)11(16,17)13(21,22)23/h2-7H,1H3,(H,26,27)/t7-,10+/m0/s1
InChIKeyJIOOYMLWOFURHL-OIBJUYFYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.22
LogP ≤ 54.90
H-Bond Donors ≤ 51
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 (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide (CID 162812285) is (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is JIOOYMLWOFURHL-OIBJUYFYSA-N. The full InChI is InChI=1S/C14H10F11NO2/c1-7(8-5-3-2-4-6-8)26-9(27)10(15,12(18,19)20)28-14(24,25)11(16,17)13(21,22)23/h2-7H,1H3,(H,26,27)/t7-,10+/m0/s1.
What are the key properties of (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide?
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 433.22 g/mol, XLogP of 4.90, 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-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 162812285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).