(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide

C15H5F17N2O5 — CID 97182364

IUPAC(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)[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/C15H5F17N2O5/c16-8(11(20,21)22,7(35)33-5-2-1-3-6(4-5)34(36)37)38-15(31,32)10(19,13(26,27)28)39-14(29,30)9(17,18)12(23,24)25/h1-4H,(H,33,35)/t8-,10-/m0/s1
InChIKeyKPNKBXKDAGFSPT-WPRPVWTQSA-N
MW616.18 g/mol
LogP6.41
Rot. Bonds9

About (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide

(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide (PubChem CID 97182364) has the molecular formula C15H5F17N2O5 and a molecular weight of 616.18 g/mol. Its IUPAC name is (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide
PubChem CID97182364
Molecular FormulaC15H5F17N2O5
Molecular Weight616.18 g/mol
Exact Mass615.99
IUPAC Name(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)[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/C15H5F17N2O5/c16-8(11(20,21)22,7(35)33-5-2-1-3-6(4-5)34(36)37)38-15(31,32)10(19,13(26,27)28)39-14(29,30)9(17,18)12(23,24)25/h1-4H,(H,33,35)/t8-,10-/m0/s1
InChIKeyKPNKBXKDAGFSPT-WPRPVWTQSA-N
XLogP6.41
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.18
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(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
(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
(2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
CID 163178934
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide
CID 2780518
1-(3-nitrophenyl)-3-(trifluoromethyl)urea
CID 108865882
(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide
CID 163079215
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide
CID 4585146
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-(3-nitrophenyl)-2,2-diphenylpropanamide
CID 766973
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404
2-amino-2-methyl-N-(3-nitrophenyl)butanamide
CID 79797596

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide?
The IUPAC name of (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide (CID 97182364) is (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide is O=C(Nc1cccc([N+](=O)[O-])c1)[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 (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide?
The InChIKey is KPNKBXKDAGFSPT-WPRPVWTQSA-N. The full InChI is InChI=1S/C15H5F17N2O5/c16-8(11(20,21)22,7(35)33-5-2-1-3-6(4-5)34(36)37)38-15(31,32)10(19,13(26,27)28)39-14(29,30)9(17,18)12(23,24)25/h1-4H,(H,33,35)/t8-,10-/m0/s1.
What are the key properties of (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide?
(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide has a molecular weight of 616.18 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 97182364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).