6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene

C10H5ClF3IO — CID 139923507

IUPAC6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene
SMILESFC(F)(F)C1C=Cc2cc(Cl)c(I)cc2O1
InChIInChI=1S/C10H5ClF3IO/c11-6-3-5-1-2-9(10(12,13)14)16-8(5)4-7(6)15/h1-4,9H
InChIKeyKIBFKVSPFXYHMS-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.28
Rot. Bonds

About 6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene

6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene (PubChem CID 139923507) has the molecular formula C10H5ClF3IO and a molecular weight of 360.50 g/mol. Its IUPAC name is 6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene
PubChem CID139923507
Molecular FormulaC10H5ClF3IO
Molecular Weight360.50 g/mol
Exact Mass359.90
IUPAC Name6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene
SMILESFC(F)(F)C1C=Cc2cc(Cl)c(I)cc2O1
InChIInChI=1S/C10H5ClF3IO/c11-6-3-5-1-2-9(10(12,13)14)16-8(5)4-7(6)15/h1-4,9H
InChIKeyKIBFKVSPFXYHMS-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of 6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene (CID 139923507) is 6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for 6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for 6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene is FC(F)(F)C1C=Cc2cc(Cl)c(I)cc2O1.
What is the InChIKey of 6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene?
The InChIKey is KIBFKVSPFXYHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3IO/c11-6-3-5-1-2-9(10(12,13)14)16-8(5)4-7(6)15/h1-4,9H.
What are the key properties of 6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene?
6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene has a molecular weight of 360.50 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 139923507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).