6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene

C25H15ClF2O — CID 101254531

IUPAC6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene
SMILESFc1ccc(C2(c3ccc(F)cc3)C=Cc3cc(Cl)c4ccccc4c3O2)cc1
InChIInChI=1S/C25H15ClF2O/c26-23-15-16-13-14-25(17-5-9-19(27)10-6-17,18-7-11-20(28)12-8-18)29-24(16)22-4-2-1-3-21(22)23/h1-15H
InChIKeyJRUABXZWIQLHHP-UHFFFAOYSA-N
MW404.84 g/mol
LogP7.12
Rot. Bonds2

About 6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene

6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene (PubChem CID 101254531) has the molecular formula C25H15ClF2O and a molecular weight of 404.84 g/mol. Its IUPAC name is 6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene.

Molecular Properties

Compound Name6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene
PubChem CID101254531
Molecular FormulaC25H15ClF2O
Molecular Weight404.84 g/mol
Exact Mass404.08
IUPAC Name6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene
SMILESFc1ccc(C2(c3ccc(F)cc3)C=Cc3cc(Cl)c4ccccc4c3O2)cc1
InChIInChI=1S/C25H15ClF2O/c26-23-15-16-13-14-25(17-5-9-19(27)10-6-17,18-7-11-20(28)12-8-18)29-24(16)22-4-2-1-3-21(22)23/h1-15H
InChIKeyJRUABXZWIQLHHP-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.84
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene?
The IUPAC name of 6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene (CID 101254531) is 6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene.
What is the SMILES notation for 6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene?
The canonical SMILES for 6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene is Fc1ccc(C2(c3ccc(F)cc3)C=Cc3cc(Cl)c4ccccc4c3O2)cc1.
What is the InChIKey of 6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene?
The InChIKey is JRUABXZWIQLHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF2O/c26-23-15-16-13-14-25(17-5-9-19(27)10-6-17,18-7-11-20(28)12-8-18)29-24(16)22-4-2-1-3-21(22)23/h1-15H.
What are the key properties of 6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene?
6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene has a molecular weight of 404.84 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-bis(4-fluorophenyl)benzo[h]chromene is sourced from PubChem (CID 101254531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).