ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate

C12H16FNO3 — CID 143939709

IUPACethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC.CC(C)OC(=O)c1cc2oc(F)cc2[nH]1
InChIInChI=1S/C10H10FNO3.C2H6/c1-5(2)14-10(13)7-3-8-6(12-7)4-9(11)15-8;1-2/h3-5,12H,1-2H3;1-2H3
InChIKeyATTDPYGFQSJYLC-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.49
Rot. Bonds2

About ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate

ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 143939709) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID143939709
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Nameethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC.CC(C)OC(=O)c1cc2oc(F)cc2[nH]1
InChIInChI=1S/C10H10FNO3.C2H6/c1-5(2)14-10(13)7-3-8-6(12-7)4-9(11)15-8;1-2/h3-5,12H,1-2H3;1-2H3
InChIKeyATTDPYGFQSJYLC-UHFFFAOYSA-N
XLogP3.49
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate (CID 143939709) is ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate is CC.CC(C)OC(=O)c1cc2oc(F)cc2[nH]1.
What is the InChIKey of ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ATTDPYGFQSJYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3.C2H6/c1-5(2)14-10(13)7-3-8-6(12-7)4-9(11)15-8;1-2/h3-5,12H,1-2H3;1-2H3.
What are the key properties of ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 241.26 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 143939709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).