3-fluoro-5-pyrrolidin-1-ylaniline

C10H13FN2 — CID 22636152

IUPAC3-fluoro-5-pyrrolidin-1-ylaniline
SMILESNc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C10H13FN2/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4,12H2
InChIKeySNPUUEFAXHZDGK-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.01
Rot. Bonds1

About 3-fluoro-5-pyrrolidin-1-ylaniline

3-fluoro-5-pyrrolidin-1-ylaniline (PubChem CID 22636152) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-fluoro-5-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name3-fluoro-5-pyrrolidin-1-ylaniline
PubChem CID22636152
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-fluoro-5-pyrrolidin-1-ylaniline
SMILESNc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C10H13FN2/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4,12H2
InChIKeySNPUUEFAXHZDGK-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-pyrrolidin-1-ylaniline?
The IUPAC name of 3-fluoro-5-pyrrolidin-1-ylaniline (CID 22636152) is 3-fluoro-5-pyrrolidin-1-ylaniline.
What is the SMILES notation for 3-fluoro-5-pyrrolidin-1-ylaniline?
The canonical SMILES for 3-fluoro-5-pyrrolidin-1-ylaniline is Nc1cc(F)cc(N2CCCC2)c1.
What is the InChIKey of 3-fluoro-5-pyrrolidin-1-ylaniline?
The InChIKey is SNPUUEFAXHZDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4,12H2.
What are the key properties of 3-fluoro-5-pyrrolidin-1-ylaniline?
3-fluoro-5-pyrrolidin-1-ylaniline has a molecular weight of 180.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-pyrrolidin-1-ylaniline is sourced from PubChem (CID 22636152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).