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

C9H14FNO — CID 146377910

IUPAC1-tert-butyl-3-fluoro-2-methoxypyrrole
SMILESCOc1c(F)ccn1C(C)(C)C
InChIInChI=1S/C9H14FNO/c1-9(2,3)11-6-5-7(10)8(11)12-4/h5-6H,1-4H3
InChIKeyFPDJATPDCKGQLN-UHFFFAOYSA-N
MW171.22 g/mol
LogP2.39
Rot. Bonds1

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

1-tert-butyl-3-fluoro-2-methoxypyrrole (PubChem CID 146377910) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 1-tert-butyl-3-fluoro-2-methoxypyrrole.

Molecular Properties

Compound Name1-tert-butyl-3-fluoro-2-methoxypyrrole
PubChem CID146377910
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name1-tert-butyl-3-fluoro-2-methoxypyrrole
SMILESCOc1c(F)ccn1C(C)(C)C
InChIInChI=1S/C9H14FNO/c1-9(2,3)11-6-5-7(10)8(11)12-4/h5-6H,1-4H3
InChIKeyFPDJATPDCKGQLN-UHFFFAOYSA-N
XLogP2.39
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-fluoro-2-methoxypyrrole?
The IUPAC name of 1-tert-butyl-3-fluoro-2-methoxypyrrole (CID 146377910) is 1-tert-butyl-3-fluoro-2-methoxypyrrole.
What is the SMILES notation for 1-tert-butyl-3-fluoro-2-methoxypyrrole?
The canonical SMILES for 1-tert-butyl-3-fluoro-2-methoxypyrrole is COc1c(F)ccn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-fluoro-2-methoxypyrrole?
The InChIKey is FPDJATPDCKGQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-9(2,3)11-6-5-7(10)8(11)12-4/h5-6H,1-4H3.
What are the key properties of 1-tert-butyl-3-fluoro-2-methoxypyrrole?
1-tert-butyl-3-fluoro-2-methoxypyrrole has a molecular weight of 171.22 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-fluoro-2-methoxypyrrole is sourced from PubChem (CID 146377910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).