(2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran

C9H8FNO3 — CID 147559868

IUPAC(2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1Cc2cc(F)cc([N+](=O)[O-])c2O1
InChIInChI=1S/C9H8FNO3/c1-5-2-6-3-7(10)4-8(11(12)13)9(6)14-5/h3-5H,2H2,1H3/t5-/m1/s1
InChIKeyFSKNPBPORBIFNE-RXMQYKEDSA-N
MW197.16 g/mol
LogP2.06
Rot. Bonds1

About (2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran

(2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran (PubChem CID 147559868) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is (2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran
PubChem CID147559868
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name(2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1Cc2cc(F)cc([N+](=O)[O-])c2O1
InChIInChI=1S/C9H8FNO3/c1-5-2-6-3-7(10)4-8(11(12)13)9(6)14-5/h3-5H,2H2,1H3/t5-/m1/s1
InChIKeyFSKNPBPORBIFNE-RXMQYKEDSA-N
XLogP2.06
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 52.06
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 (2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran (CID 147559868) is (2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran is C[C@@H]1Cc2cc(F)cc([N+](=O)[O-])c2O1.
What is the InChIKey of (2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran?
The InChIKey is FSKNPBPORBIFNE-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H8FNO3/c1-5-2-6-3-7(10)4-8(11(12)13)9(6)14-5/h3-5H,2H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran?
(2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran has a molecular weight of 197.16 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-fluoro-2-methyl-7-nitro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 147559868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).