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

C15H9ClFNO3 — CID 6925208

IUPAC(2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene
SMILESO=[N+]([O-])C1=Cc2ccccc2O[C@H]1c1c(F)cccc1Cl
InChIInChI=1S/C15H9ClFNO3/c16-10-5-3-6-11(17)14(10)15-12(18(19)20)8-9-4-1-2-7-13(9)21-15/h1-8,15H/t15-/m1/s1
InChIKeyHFPXJKGCRZFSQB-OAHLLOKOSA-N
MW305.69 g/mol
LogP4.23
Rot. Bonds2

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

(2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene (PubChem CID 6925208) has the molecular formula C15H9ClFNO3 and a molecular weight of 305.69 g/mol. Its IUPAC name is (2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene.

Molecular Properties

Compound Name(2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene
PubChem CID6925208
Molecular FormulaC15H9ClFNO3
Molecular Weight305.69 g/mol
Exact Mass305.03
IUPAC Name(2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene
SMILESO=[N+]([O-])C1=Cc2ccccc2O[C@H]1c1c(F)cccc1Cl
InChIInChI=1S/C15H9ClFNO3/c16-10-5-3-6-11(17)14(10)15-12(18(19)20)8-9-4-1-2-7-13(9)21-15/h1-8,15H/t15-/m1/s1
InChIKeyHFPXJKGCRZFSQB-OAHLLOKOSA-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 (2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene?
The IUPAC name of (2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene (CID 6925208) is (2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene.
What is the SMILES notation for (2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene?
The canonical SMILES for (2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene is O=[N+]([O-])C1=Cc2ccccc2O[C@H]1c1c(F)cccc1Cl.
What is the InChIKey of (2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene?
The InChIKey is HFPXJKGCRZFSQB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H9ClFNO3/c16-10-5-3-6-11(17)14(10)15-12(18(19)20)8-9-4-1-2-7-13(9)21-15/h1-8,15H/t15-/m1/s1.
What are the key properties of (2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene?
(2S)-2-(2-chloro-6-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 (2S)-2-(2-chloro-6-fluorophenyl)-3-nitro-2H-chromene is sourced from PubChem (CID 6925208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).