1-(1-fluoropropyl)pyrrole

C7H10FN — CID 66718667

IUPAC1-(1-fluoropropyl)pyrrole
SMILESCCC(F)n1cccc1
InChIInChI=1S/C7H10FN/c1-2-7(8)9-5-3-4-6-9/h3-7H,2H2,1H3
InChIKeyDHNRSRKZWCNHOR-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.37
Rot. Bonds2

About 1-(1-fluoropropyl)pyrrole

1-(1-fluoropropyl)pyrrole (PubChem CID 66718667) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 1-(1-fluoropropyl)pyrrole.

Molecular Properties

Compound Name1-(1-fluoropropyl)pyrrole
PubChem CID66718667
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name1-(1-fluoropropyl)pyrrole
SMILESCCC(F)n1cccc1
InChIInChI=1S/C7H10FN/c1-2-7(8)9-5-3-4-6-9/h3-7H,2H2,1H3
InChIKeyDHNRSRKZWCNHOR-UHFFFAOYSA-N
XLogP2.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropyl)pyrrole?
The IUPAC name of 1-(1-fluoropropyl)pyrrole (CID 66718667) is 1-(1-fluoropropyl)pyrrole.
What is the SMILES notation for 1-(1-fluoropropyl)pyrrole?
The canonical SMILES for 1-(1-fluoropropyl)pyrrole is CCC(F)n1cccc1.
What is the InChIKey of 1-(1-fluoropropyl)pyrrole?
The InChIKey is DHNRSRKZWCNHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-7(8)9-5-3-4-6-9/h3-7H,2H2,1H3.
What are the key properties of 1-(1-fluoropropyl)pyrrole?
1-(1-fluoropropyl)pyrrole has a molecular weight of 127.16 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropyl)pyrrole is sourced from PubChem (CID 66718667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).