(5-fluoro-1-benzothiophen-2-yl) methyl carbonate

C10H7FO3S — CID 69364638

IUPAC(5-fluoro-1-benzothiophen-2-yl) methyl carbonate
SMILESCOC(=O)Oc1cc2cc(F)ccc2s1
InChIInChI=1S/C10H7FO3S/c1-13-10(12)14-9-5-6-4-7(11)2-3-8(6)15-9/h2-5H,1H3
InChIKeyKXZNAZGEXBCFED-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.19
Rot. Bonds1

About (5-fluoro-1-benzothiophen-2-yl) methyl carbonate

(5-fluoro-1-benzothiophen-2-yl) methyl carbonate (PubChem CID 69364638) has the molecular formula C10H7FO3S and a molecular weight of 226.23 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl) methyl carbonate.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl) methyl carbonate
PubChem CID69364638
Molecular FormulaC10H7FO3S
Molecular Weight226.23 g/mol
Exact Mass226.01
IUPAC Name(5-fluoro-1-benzothiophen-2-yl) methyl carbonate
SMILESCOC(=O)Oc1cc2cc(F)ccc2s1
InChIInChI=1S/C10H7FO3S/c1-13-10(12)14-9-5-6-4-7(11)2-3-8(6)15-9/h2-5H,1H3
InChIKeyKXZNAZGEXBCFED-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl) methyl carbonate?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl) methyl carbonate (CID 69364638) is (5-fluoro-1-benzothiophen-2-yl) methyl carbonate.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl) methyl carbonate?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl) methyl carbonate is COC(=O)Oc1cc2cc(F)ccc2s1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl) methyl carbonate?
The InChIKey is KXZNAZGEXBCFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3S/c1-13-10(12)14-9-5-6-4-7(11)2-3-8(6)15-9/h2-5H,1H3.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl) methyl carbonate?
(5-fluoro-1-benzothiophen-2-yl) methyl carbonate has a molecular weight of 226.23 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-2-yl) methyl carbonate is sourced from PubChem (CID 69364638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).