[6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate

C17H10ClF3O4 — CID 70003023

IUPAC[6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate
SMILESO=C(O)OC1=Cc2cc(-c3ccc(Cl)cc3)ccc2OC1C(F)(F)F
InChIInChI=1S/C17H10ClF3O4/c18-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(25-16(22)23)15(24-13)17(19,20)21/h1-8,15H,(H,22,23)
InChIKeySFPZBCVATMUCDR-UHFFFAOYSA-N
MW370.71 g/mol
LogP5.37
Rot. Bonds2

About [6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate

[6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate (PubChem CID 70003023) has the molecular formula C17H10ClF3O4 and a molecular weight of 370.71 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate
PubChem CID70003023
Molecular FormulaC17H10ClF3O4
Molecular Weight370.71 g/mol
Exact Mass370.02
IUPAC Name[6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate
SMILESO=C(O)OC1=Cc2cc(-c3ccc(Cl)cc3)ccc2OC1C(F)(F)F
InChIInChI=1S/C17H10ClF3O4/c18-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(25-16(22)23)15(24-13)17(19,20)21/h1-8,15H,(H,22,23)
InChIKeySFPZBCVATMUCDR-UHFFFAOYSA-N
XLogP5.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate 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-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate?
The IUPAC name of [6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate (CID 70003023) is [6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate.
What is the SMILES notation for [6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate?
The canonical SMILES for [6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate is O=C(O)OC1=Cc2cc(-c3ccc(Cl)cc3)ccc2OC1C(F)(F)F.
What is the InChIKey of [6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate?
The InChIKey is SFPZBCVATMUCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3O4/c18-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(25-16(22)23)15(24-13)17(19,20)21/h1-8,15H,(H,22,23).
What are the key properties of [6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate?
[6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate has a molecular weight of 370.71 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate is sourced from PubChem (CID 70003023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).