(2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane

C17H16FNO3 — CID 154714585

IUPAC(2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane
SMILESO=[N+]([O-])c1ccc([C@@H]2C[C@H](F)C[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C17H16FNO3/c18-14-10-16(12-4-2-1-3-5-12)22-17(11-14)13-6-8-15(9-7-13)19(20)21/h1-9,14,16-17H,10-11H2/t14-,16-,17+/m1/s1
InChIKeyZIQHUELHXXOGKN-OIISXLGYSA-N
MW301.32 g/mol
LogP4.53
Rot. Bonds3

About (2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane

(2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane (PubChem CID 154714585) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane.

Molecular Properties

Compound Name(2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane
PubChem CID154714585
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane
SMILESO=[N+]([O-])c1ccc([C@@H]2C[C@H](F)C[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C17H16FNO3/c18-14-10-16(12-4-2-1-3-5-12)22-17(11-14)13-6-8-15(9-7-13)19(20)21/h1-9,14,16-17H,10-11H2/t14-,16-,17+/m1/s1
InChIKeyZIQHUELHXXOGKN-OIISXLGYSA-N
XLogP4.53
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane?
The IUPAC name of (2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane (CID 154714585) is (2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane.
What is the SMILES notation for (2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane?
The canonical SMILES for (2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane is O=[N+]([O-])c1ccc([C@@H]2C[C@H](F)C[C@H](c3ccccc3)O2)cc1.
What is the InChIKey of (2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane?
The InChIKey is ZIQHUELHXXOGKN-OIISXLGYSA-N. The full InChI is InChI=1S/C17H16FNO3/c18-14-10-16(12-4-2-1-3-5-12)22-17(11-14)13-6-8-15(9-7-13)19(20)21/h1-9,14,16-17H,10-11H2/t14-,16-,17+/m1/s1.
What are the key properties of (2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane?
(2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane has a molecular weight of 301.32 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-4-fluoro-2-(4-nitrophenyl)-6-phenyloxane is sourced from PubChem (CID 154714585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).