[4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate

C6H3F3O3S — CID 69466137

IUPAC[4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1cscc1C(F)(F)F
InChIInChI=1S/C6H3F3O3S/c7-6(8,9)3-1-13-2-4(3)12-5(10)11/h1-2H,(H,10,11)
InChIKeyVIULXELLJUWLQA-UHFFFAOYSA-N
MW212.15 g/mol
LogP2.82
Rot. Bonds1

About [4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate

[4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate (PubChem CID 69466137) has the molecular formula C6H3F3O3S and a molecular weight of 212.15 g/mol. Its IUPAC name is [4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate
PubChem CID69466137
Molecular FormulaC6H3F3O3S
Molecular Weight212.15 g/mol
Exact Mass211.98
IUPAC Name[4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1cscc1C(F)(F)F
InChIInChI=1S/C6H3F3O3S/c7-6(8,9)3-1-13-2-4(3)12-5(10)11/h1-2H,(H,10,11)
InChIKeyVIULXELLJUWLQA-UHFFFAOYSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate?
The IUPAC name of [4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate (CID 69466137) is [4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate.
What is the SMILES notation for [4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate?
The canonical SMILES for [4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate is O=C(O)Oc1cscc1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate?
The InChIKey is VIULXELLJUWLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O3S/c7-6(8,9)3-1-13-2-4(3)12-5(10)11/h1-2H,(H,10,11).
What are the key properties of [4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate?
[4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate has a molecular weight of 212.15 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)thiophen-3-yl] hydrogen carbonate is sourced from PubChem (CID 69466137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).