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

C15H9Cl2FO — CID 53486520

IUPAC4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene
SMILESFc1cccc(Cl)c1C1C=C(Cl)c2ccccc2O1
InChIInChI=1S/C15H9Cl2FO/c16-10-5-3-6-12(18)15(10)14-8-11(17)9-4-1-2-7-13(9)19-14/h1-8,14H
InChIKeyKTQPBAFIBPOTET-UHFFFAOYSA-N
MW295.14 g/mol
LogP5.19
Rot. Bonds1

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

4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene (PubChem CID 53486520) has the molecular formula C15H9Cl2FO and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene
PubChem CID53486520
Molecular FormulaC15H9Cl2FO
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene
SMILESFc1cccc(Cl)c1C1C=C(Cl)c2ccccc2O1
InChIInChI=1S/C15H9Cl2FO/c16-10-5-3-6-12(18)15(10)14-8-11(17)9-4-1-2-7-13(9)19-14/h1-8,14H
InChIKeyKTQPBAFIBPOTET-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.14
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene?
The IUPAC name of 4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene (CID 53486520) is 4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene.
What is the SMILES notation for 4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene?
The canonical SMILES for 4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene is Fc1cccc(Cl)c1C1C=C(Cl)c2ccccc2O1.
What is the InChIKey of 4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene?
The InChIKey is KTQPBAFIBPOTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FO/c16-10-5-3-6-12(18)15(10)14-8-11(17)9-4-1-2-7-13(9)19-14/h1-8,14H.
What are the key properties of 4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene?
4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene has a molecular weight of 295.14 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-6-fluorophenyl)-2H-chromene is sourced from PubChem (CID 53486520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).