1-(2-fluoroethyl)pyrrole-2-carbonitrile

C7H7FN2 — CID 69262229

IUPAC1-(2-fluoroethyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CCF
InChIInChI=1S/C7H7FN2/c8-3-5-10-4-1-2-7(10)6-9/h1-2,4H,3,5H2
InChIKeyGQWBQDNZMCIBAJ-UHFFFAOYSA-N
MW138.14 g/mol
LogP1.33
Rot. Bonds2

About 1-(2-fluoroethyl)pyrrole-2-carbonitrile

1-(2-fluoroethyl)pyrrole-2-carbonitrile (PubChem CID 69262229) has the molecular formula C7H7FN2 and a molecular weight of 138.14 g/mol. Its IUPAC name is 1-(2-fluoroethyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoroethyl)pyrrole-2-carbonitrile
PubChem CID69262229
Molecular FormulaC7H7FN2
Molecular Weight138.14 g/mol
Exact Mass138.06
IUPAC Name1-(2-fluoroethyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CCF
InChIInChI=1S/C7H7FN2/c8-3-5-10-4-1-2-7(10)6-9/h1-2,4H,3,5H2
InChIKeyGQWBQDNZMCIBAJ-UHFFFAOYSA-N
XLogP1.33
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(2-fluoroethyl)pyrrole-2-carbonitrile (CID 69262229) is 1-(2-fluoroethyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(2-fluoroethyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(2-fluoroethyl)pyrrole-2-carbonitrile is N#Cc1cccn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)pyrrole-2-carbonitrile?
The InChIKey is GQWBQDNZMCIBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2/c8-3-5-10-4-1-2-7(10)6-9/h1-2,4H,3,5H2.
What are the key properties of 1-(2-fluoroethyl)pyrrole-2-carbonitrile?
1-(2-fluoroethyl)pyrrole-2-carbonitrile has a molecular weight of 138.14 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 69262229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).