(5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate

C18H14FNO7 — CID 7164411

IUPAC(5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate
SMILESCOc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H14FNO7/c1-25-14-5-3-2-4-11(14)17-12(9-16(21)27-17)18(22)26-15-8-10(19)6-7-13(15)20(23)24/h2-8,12,17H,9H2,1H3/t12-,17+/m1/s1
InChIKeyKZCCZGYXUKCONJ-PXAZEXFGSA-N
MW375.31 g/mol
LogP2.95
Rot. Bonds5

About (5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate

(5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate (PubChem CID 7164411) has the molecular formula C18H14FNO7 and a molecular weight of 375.31 g/mol. Its IUPAC name is (5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate.

Molecular Properties

Compound Name(5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate
PubChem CID7164411
Molecular FormulaC18H14FNO7
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC Name(5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate
SMILESCOc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H14FNO7/c1-25-14-5-3-2-4-11(14)17-12(9-16(21)27-17)18(22)26-15-8-10(19)6-7-13(15)20(23)24/h2-8,12,17H,9H2,1H3/t12-,17+/m1/s1
InChIKeyKZCCZGYXUKCONJ-PXAZEXFGSA-N
XLogP2.95
TPSA104.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-nitrophenyl) (3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate
CID 44717430
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 725397
(5-fluoro-2-nitrophenyl) 1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55333729
2-(5-fluoro-2-nitrophenoxy)-1-(2-methoxyphenyl)ethanone
CID 8873297
(5-fluoro-2-nitrophenyl) 3-methoxybenzoate
CID 530765
(2S,3R)-2-(2,3-dimethoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 97034788
(5-fluoro-2-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735047
ethyl (5-fluoro-2-nitrophenyl) carbonate
CID 91722650
(5-fluoro-2-nitrophenyl) 3-chloro-4,5-dimethoxybenzoate
CID 55333701
1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 60726170
(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one
CID 51923988
N-(4-fluorophenyl)-3-methoxy-4-nitroaniline
CID 165348720

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate?
The IUPAC name of (5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate (CID 7164411) is (5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate.
What is the SMILES notation for (5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate?
The canonical SMILES for (5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate is COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of (5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate?
The InChIKey is KZCCZGYXUKCONJ-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H14FNO7/c1-25-14-5-3-2-4-11(14)17-12(9-16(21)27-17)18(22)26-15-8-10(19)6-7-13(15)20(23)24/h2-8,12,17H,9H2,1H3/t12-,17+/m1/s1.
What are the key properties of (5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate?
(5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate has a molecular weight of 375.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-nitrophenyl) (2R,3R)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate is sourced from PubChem (CID 7164411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).