6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene

C10H5ClF3NO3 — CID 164606105

IUPAC6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene
SMILESO=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1C(F)(F)F
InChIInChI=1S/C10H5ClF3NO3/c11-6-1-2-8-5(3-6)4-7(15(16)17)9(18-8)10(12,13)14/h1-4,9H
InChIKeyMZKIMVRXOFRAQO-UHFFFAOYSA-N
MW279.60 g/mol
LogP3.28
Rot. Bonds1

About 6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene

6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene (PubChem CID 164606105) has the molecular formula C10H5ClF3NO3 and a molecular weight of 279.60 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene
PubChem CID164606105
Molecular FormulaC10H5ClF3NO3
Molecular Weight279.60 g/mol
Exact Mass278.99
IUPAC Name6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene
SMILESO=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1C(F)(F)F
InChIInChI=1S/C10H5ClF3NO3/c11-6-1-2-8-5(3-6)4-7(15(16)17)9(18-8)10(12,13)14/h1-4,9H
InChIKeyMZKIMVRXOFRAQO-UHFFFAOYSA-N
XLogP3.28
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.60
LogP ≤ 53.28
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-3-nitro-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of 6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene (CID 164606105) is 6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for 6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for 6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene is O=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1C(F)(F)F.
What is the InChIKey of 6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene?
The InChIKey is MZKIMVRXOFRAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO3/c11-6-1-2-8-5(3-6)4-7(15(16)17)9(18-8)10(12,13)14/h1-4,9H.
What are the key properties of 6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene?
6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene has a molecular weight of 279.60 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 164606105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).