2-fluoro-3-propyl-1H-pyrrole

C7H10FN — CID 163361919

IUPAC2-fluoro-3-propyl-1H-pyrrole
SMILESCCCc1cc[nH]c1F
InChIInChI=1S/C7H10FN/c1-2-3-6-4-5-9-7(6)8/h4-5,9H,2-3H2,1H3
InChIKeyOBBXNDGILRWLJG-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.11
Rot. Bonds2

About 2-fluoro-3-propyl-1H-pyrrole

2-fluoro-3-propyl-1H-pyrrole (PubChem CID 163361919) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-fluoro-3-propyl-1H-pyrrole.

Molecular Properties

Compound Name2-fluoro-3-propyl-1H-pyrrole
PubChem CID163361919
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-fluoro-3-propyl-1H-pyrrole
SMILESCCCc1cc[nH]c1F
InChIInChI=1S/C7H10FN/c1-2-3-6-4-5-9-7(6)8/h4-5,9H,2-3H2,1H3
InChIKeyOBBXNDGILRWLJG-UHFFFAOYSA-N
XLogP2.11
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-propyl-1H-pyrrole?
The IUPAC name of 2-fluoro-3-propyl-1H-pyrrole (CID 163361919) is 2-fluoro-3-propyl-1H-pyrrole.
What is the SMILES notation for 2-fluoro-3-propyl-1H-pyrrole?
The canonical SMILES for 2-fluoro-3-propyl-1H-pyrrole is CCCc1cc[nH]c1F.
What is the InChIKey of 2-fluoro-3-propyl-1H-pyrrole?
The InChIKey is OBBXNDGILRWLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-3-6-4-5-9-7(6)8/h4-5,9H,2-3H2,1H3.
What are the key properties of 2-fluoro-3-propyl-1H-pyrrole?
2-fluoro-3-propyl-1H-pyrrole has a molecular weight of 127.16 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-propyl-1H-pyrrole is sourced from PubChem (CID 163361919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).