6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene

C15H9ClFNO3 — CID 2732967

IUPAC6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene
SMILESO=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1c1ccc(F)cc1
InChIInChI=1S/C15H9ClFNO3/c16-11-3-6-14-10(7-11)8-13(18(19)20)15(21-14)9-1-4-12(17)5-2-9/h1-8,15H
InChIKeyGQFLCBOBLRTGCQ-UHFFFAOYSA-N
MW305.69 g/mol
LogP4.23
Rot. Bonds2

About 6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene

6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene (PubChem CID 2732967) has the molecular formula C15H9ClFNO3 and a molecular weight of 305.69 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene
PubChem CID2732967
Molecular FormulaC15H9ClFNO3
Molecular Weight305.69 g/mol
Exact Mass305.03
IUPAC Name6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene
SMILESO=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1c1ccc(F)cc1
InChIInChI=1S/C15H9ClFNO3/c16-11-3-6-14-10(7-11)8-13(18(19)20)15(21-14)9-1-4-12(17)5-2-9/h1-8,15H
InChIKeyGQFLCBOBLRTGCQ-UHFFFAOYSA-N
XLogP4.23
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 54.23
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 6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene (CID 2732967) is 6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene is O=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1c1ccc(F)cc1.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene?
The InChIKey is GQFLCBOBLRTGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO3/c16-11-3-6-14-10(7-11)8-13(18(19)20)15(21-14)9-1-4-12(17)5-2-9/h1-8,15H.
What are the key properties of 6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene?
6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene has a molecular weight of 305.69 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromene is sourced from PubChem (CID 2732967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).