tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate

C10H14FNO3 — CID 174451644

IUPACtert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate
SMILESCOc1c(F)ccn1C(=O)OC(C)(C)C
InChIInChI=1S/C10H14FNO3/c1-10(2,3)15-9(13)12-6-5-7(11)8(12)14-4/h5-6H,1-4H3
InChIKeyUVFRFBRXKKOGPP-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.42
Rot. Bonds1

About tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate

tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate (PubChem CID 174451644) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate
PubChem CID174451644
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Nametert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate
SMILESCOc1c(F)ccn1C(=O)OC(C)(C)C
InChIInChI=1S/C10H14FNO3/c1-10(2,3)15-9(13)12-6-5-7(11)8(12)14-4/h5-6H,1-4H3
InChIKeyUVFRFBRXKKOGPP-UHFFFAOYSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate (CID 174451644) is tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate is COc1c(F)ccn1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate?
The InChIKey is UVFRFBRXKKOGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-10(2,3)15-9(13)12-6-5-7(11)8(12)14-4/h5-6H,1-4H3.
What are the key properties of tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate?
tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate has a molecular weight of 215.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-2-methoxypyrrole-1-carboxylate is sourced from PubChem (CID 174451644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).