5-fluoro-4-propan-2-yl-2H-pyrrole

C7H10FN — CID 162095864

IUPAC5-fluoro-4-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=CCN=C1F
InChIInChI=1S/C7H10FN/c1-5(2)6-3-4-9-7(6)8/h3,5H,4H2,1-2H3
InChIKeyZIJROMNMKXMTBX-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.95
Rot. Bonds1

About 5-fluoro-4-propan-2-yl-2H-pyrrole

5-fluoro-4-propan-2-yl-2H-pyrrole (PubChem CID 162095864) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-fluoro-4-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name5-fluoro-4-propan-2-yl-2H-pyrrole
PubChem CID162095864
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name5-fluoro-4-propan-2-yl-2H-pyrrole
SMILESCC(C)C1=CCN=C1F
InChIInChI=1S/C7H10FN/c1-5(2)6-3-4-9-7(6)8/h3,5H,4H2,1-2H3
InChIKeyZIJROMNMKXMTBX-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-propan-2-yl-2H-pyrrole?
The IUPAC name of 5-fluoro-4-propan-2-yl-2H-pyrrole (CID 162095864) is 5-fluoro-4-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 5-fluoro-4-propan-2-yl-2H-pyrrole?
The canonical SMILES for 5-fluoro-4-propan-2-yl-2H-pyrrole is CC(C)C1=CCN=C1F.
What is the InChIKey of 5-fluoro-4-propan-2-yl-2H-pyrrole?
The InChIKey is ZIJROMNMKXMTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5(2)6-3-4-9-7(6)8/h3,5H,4H2,1-2H3.
What are the key properties of 5-fluoro-4-propan-2-yl-2H-pyrrole?
5-fluoro-4-propan-2-yl-2H-pyrrole has a molecular weight of 127.16 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 162095864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).