(2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane

C11H12FNO3 — CID 25058582

IUPAC(2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane
SMILESO=[N+]([O-])c1ccc([C@@H]2C[C@H](F)CCO2)cc1
InChIInChI=1S/C11H12FNO3/c12-9-5-6-16-11(7-9)8-1-3-10(4-2-8)13(14)15/h1-4,9,11H,5-7H2/t9-,11+/m1/s1
InChIKeyCWANVDBCCCVACM-KOLCDFICSA-N
MW225.22 g/mol
LogP2.78
Rot. Bonds2

About (2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane

(2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane (PubChem CID 25058582) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane
PubChem CID25058582
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name(2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane
SMILESO=[N+]([O-])c1ccc([C@@H]2C[C@H](F)CCO2)cc1
InChIInChI=1S/C11H12FNO3/c12-9-5-6-16-11(7-9)8-1-3-10(4-2-8)13(14)15/h1-4,9,11H,5-7H2/t9-,11+/m1/s1
InChIKeyCWANVDBCCCVACM-KOLCDFICSA-N
XLogP2.78
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.78
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'}

Analyze (2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,4S)-2-(4-nitrophenyl)oxan-4-yl] thiocyanate
CID 24770068
[2-(4-nitrophenyl)oxan-4-yl] carbonate
CID 67007113
4-fluoro-2-(2-nitrophenyl)oxane
CID 153397321
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
(3R,4aR,9aS)-6-fluoro-3-(4-nitrophenyl)-1,3,4,4a,7,8,9,9a-octahydrocyclohepta[c]pyran
CID 132917092
(2S,4R)-4-fluoro-2-naphthalen-2-yloxane
CID 155927148
2-(4-nitrophenyl)-1,3-dioxepane
CID 12562261
(2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine
CID 67353124
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
(2S,4R)-2-(4-nitrophenyl)-4-propan-2-yl-1,3-oxazinane
CID 23660249
[(2S,3R)-2-(4-nitrophenyl)oxolan-3-yl]-phenylmethanone
CID 11779363
2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide
CID 99829011

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane?
The IUPAC name of (2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane (CID 25058582) is (2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane.
What is the SMILES notation for (2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane?
The canonical SMILES for (2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane is O=[N+]([O-])c1ccc([C@@H]2C[C@H](F)CCO2)cc1.
What is the InChIKey of (2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane?
The InChIKey is CWANVDBCCCVACM-KOLCDFICSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-9-5-6-16-11(7-9)8-1-3-10(4-2-8)13(14)15/h1-4,9,11H,5-7H2/t9-,11+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane?
(2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane has a molecular weight of 225.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane is sourced from PubChem (CID 25058582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).