(2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine

C11H10F4N2O3 — CID 16659478

IUPAC(2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine
SMILESC[C@H]1CO[C@@H](C(F)(F)F)N1c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H10F4N2O3/c1-6-5-20-10(11(13,14)15)16(6)9-3-2-7(17(18)19)4-8(9)12/h2-4,6,10H,5H2,1H3/t6-,10-/m0/s1
InChIKeyFBZKUSJXJRAVHJ-WKEGUHRASA-N
MW294.20 g/mol
LogP2.85
Rot. Bonds2

About (2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine

(2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 16659478) has the molecular formula C11H10F4N2O3 and a molecular weight of 294.20 g/mol. Its IUPAC name is (2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID16659478
Molecular FormulaC11H10F4N2O3
Molecular Weight294.20 g/mol
Exact Mass294.06
IUPAC Name(2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine
SMILESC[C@H]1CO[C@@H](C(F)(F)F)N1c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H10F4N2O3/c1-6-5-20-10(11(13,14)15)16(6)9-3-2-7(17(18)19)4-8(9)12/h2-4,6,10H,5H2,1H3/t6-,10-/m0/s1
InChIKeyFBZKUSJXJRAVHJ-WKEGUHRASA-N
XLogP2.85
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739526
8-(2-fluoro-4-nitrophenyl)-3-thia-8-azabicyclo[3.2.1]octane
CID 126483766
2-(2-fluoro-4-nitrophenyl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322945
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
3-(2-fluoro-4-nitrophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615798
9-(2-fluoro-4-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712608
1-(2-fluoro-4-nitrophenyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228417
1-(2-fluoro-4-nitrophenyl)pyridin-4-one
CID 86185931
2-(2,5-dimethylmorpholin-4-yl)-5-nitroaniline
CID 62506629
3-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 47066458
ethane;1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 170749636
4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379345

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of (2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine (CID 16659478) is (2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for (2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for (2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine is C[C@H]1CO[C@@H](C(F)(F)F)N1c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of (2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is FBZKUSJXJRAVHJ-WKEGUHRASA-N. The full InChI is InChI=1S/C11H10F4N2O3/c1-6-5-20-10(11(13,14)15)16(6)9-3-2-7(17(18)19)4-8(9)12/h2-4,6,10H,5H2,1H3/t6-,10-/m0/s1.
What are the key properties of (2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine?
(2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 294.20 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 16659478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).