1-(3-fluoropropyl)pyrrole

C7H10FN — CID 66718297

IUPAC1-(3-fluoropropyl)pyrrole
SMILESFCCCn1cccc1
InChIInChI=1S/C7H10FN/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2
InChIKeySAVKYOWIQLRVOW-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.85
Rot. Bonds3

About 1-(3-fluoropropyl)pyrrole

1-(3-fluoropropyl)pyrrole (PubChem CID 66718297) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 1-(3-fluoropropyl)pyrrole.

Molecular Properties

Compound Name1-(3-fluoropropyl)pyrrole
PubChem CID66718297
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name1-(3-fluoropropyl)pyrrole
SMILESFCCCn1cccc1
InChIInChI=1S/C7H10FN/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2
InChIKeySAVKYOWIQLRVOW-UHFFFAOYSA-N
XLogP1.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)pyrrole?
The IUPAC name of 1-(3-fluoropropyl)pyrrole (CID 66718297) is 1-(3-fluoropropyl)pyrrole.
What is the SMILES notation for 1-(3-fluoropropyl)pyrrole?
The canonical SMILES for 1-(3-fluoropropyl)pyrrole is FCCCn1cccc1.
What is the InChIKey of 1-(3-fluoropropyl)pyrrole?
The InChIKey is SAVKYOWIQLRVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2.
What are the key properties of 1-(3-fluoropropyl)pyrrole?
1-(3-fluoropropyl)pyrrole has a molecular weight of 127.16 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)pyrrole is sourced from PubChem (CID 66718297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).