(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide

C15H7F11N2O2 — CID 92904974

IUPAC(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide
SMILESO=C(Nc1ccc2ncccc2c1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H7F11N2O2/c16-11(13(19,20)21,30-15(25,26)12(17,18)14(22,23)24)10(29)28-8-3-4-9-7(6-8)2-1-5-27-9/h1-6H,(H,28,29)/t11-/m0/s1
InChIKeyBROQSKXUKUGCIS-NSHDSACASA-N
MW456.21 g/mol
LogP5.21
Rot. Bonds5

About (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide

(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide (PubChem CID 92904974) has the molecular formula C15H7F11N2O2 and a molecular weight of 456.21 g/mol. Its IUPAC name is (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide.

Molecular Properties

Compound Name(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide
PubChem CID92904974
Molecular FormulaC15H7F11N2O2
Molecular Weight456.21 g/mol
Exact Mass456.03
IUPAC Name(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide
SMILESO=C(Nc1ccc2ncccc2c1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H7F11N2O2/c16-11(13(19,20)21,30-15(25,26)12(17,18)14(22,23)24)10(29)28-8-3-4-9-7(6-8)2-1-5-27-9/h1-6H,(H,28,29)/t11-/m0/s1
InChIKeyBROQSKXUKUGCIS-NSHDSACASA-N
XLogP5.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.21
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide
CID 4585146
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide
CID 2780518
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
(2S)-2,3,3,3-tetrafluoro-N-(3-fluorophenyl)-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
CID 98120766
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-nitrophenyl)propanamide
CID 95240724
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-nitrophenyl)propanamide
CID 95240722
2-amino-2-methyl-N-quinolin-6-ylbutanamide
CID 79811443
N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 75524834
N-quinolin-6-ylbenzamide
CID 833617
2-chloro-N-quinolin-6-ylacetamide
CID 3144388

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide?
The IUPAC name of (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide (CID 92904974) is (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide.
What is the SMILES notation for (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide?
The canonical SMILES for (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide is O=C(Nc1ccc2ncccc2c1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide?
The InChIKey is BROQSKXUKUGCIS-NSHDSACASA-N. The full InChI is InChI=1S/C15H7F11N2O2/c16-11(13(19,20)21,30-15(25,26)12(17,18)14(22,23)24)10(29)28-8-3-4-9-7(6-8)2-1-5-27-9/h1-6H,(H,28,29)/t11-/m0/s1.
What are the key properties of (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide?
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide has a molecular weight of 456.21 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide is sourced from PubChem (CID 92904974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).