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

C11H7F3O4 — CID 70002712

IUPAC[2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate
SMILESO=C(O)OC1=Cc2ccccc2OC1C(F)(F)F
InChIInChI=1S/C11H7F3O4/c12-11(13,14)9-8(18-10(15)16)5-6-3-1-2-4-7(6)17-9/h1-5,9H,(H,15,16)
InChIKeySNNCRHODSFKWDC-UHFFFAOYSA-N
MW260.17 g/mol
LogP3.05
Rot. Bonds1

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

[2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate (PubChem CID 70002712) has the molecular formula C11H7F3O4 and a molecular weight of 260.17 g/mol. Its IUPAC name is [2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate
PubChem CID70002712
Molecular FormulaC11H7F3O4
Molecular Weight260.17 g/mol
Exact Mass260.03
IUPAC Name[2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate
SMILESO=C(O)OC1=Cc2ccccc2OC1C(F)(F)F
InChIInChI=1S/C11H7F3O4/c12-11(13,14)9-8(18-10(15)16)5-6-3-1-2-4-7(6)17-9/h1-5,9H,(H,15,16)
InChIKeySNNCRHODSFKWDC-UHFFFAOYSA-N
XLogP3.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate?
The IUPAC name of [2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate (CID 70002712) is [2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate.
What is the SMILES notation for [2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate?
The canonical SMILES for [2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate is O=C(O)OC1=Cc2ccccc2OC1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate?
The InChIKey is SNNCRHODSFKWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O4/c12-11(13,14)9-8(18-10(15)16)5-6-3-1-2-4-7(6)17-9/h1-5,9H,(H,15,16).
What are the key properties of [2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate?
[2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate has a molecular weight of 260.17 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate is sourced from PubChem (CID 70002712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).