N-(2-fluoroethyl)pyrrol-1-amine

C6H9FN2 — CID 80697713

IUPACN-(2-fluoroethyl)pyrrol-1-amine
SMILESFCCNn1cccc1
InChIInChI=1S/C6H9FN2/c7-3-4-8-9-5-1-2-6-9/h1-2,5-6,8H,3-4H2
InChIKeyVZQLVMDTXYMZMH-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.00
Rot. Bonds3

About N-(2-fluoroethyl)pyrrol-1-amine

N-(2-fluoroethyl)pyrrol-1-amine (PubChem CID 80697713) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is N-(2-fluoroethyl)pyrrol-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)pyrrol-1-amine
PubChem CID80697713
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC NameN-(2-fluoroethyl)pyrrol-1-amine
SMILESFCCNn1cccc1
InChIInChI=1S/C6H9FN2/c7-3-4-8-9-5-1-2-6-9/h1-2,5-6,8H,3-4H2
InChIKeyVZQLVMDTXYMZMH-UHFFFAOYSA-N
XLogP1.00
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)pyrrol-1-amine?
The IUPAC name of N-(2-fluoroethyl)pyrrol-1-amine (CID 80697713) is N-(2-fluoroethyl)pyrrol-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)pyrrol-1-amine?
The canonical SMILES for N-(2-fluoroethyl)pyrrol-1-amine is FCCNn1cccc1.
What is the InChIKey of N-(2-fluoroethyl)pyrrol-1-amine?
The InChIKey is VZQLVMDTXYMZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c7-3-4-8-9-5-1-2-6-9/h1-2,5-6,8H,3-4H2.
What are the key properties of N-(2-fluoroethyl)pyrrol-1-amine?
N-(2-fluoroethyl)pyrrol-1-amine has a molecular weight of 128.15 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)pyrrol-1-amine is sourced from PubChem (CID 80697713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).