3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline

C10H11FN2 — CID 107335472

IUPAC3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline
SMILESNc1cc(F)cc(N2CC=CC2)c1
InChIInChI=1S/C10H11FN2/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h1-2,5-7H,3-4,12H2
InChIKeyFBRPDAOQIYGBRJ-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.78
Rot. Bonds1

About 3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline

3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline (PubChem CID 107335472) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline.

Molecular Properties

Compound Name3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline
PubChem CID107335472
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline
SMILESNc1cc(F)cc(N2CC=CC2)c1
InChIInChI=1S/C10H11FN2/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h1-2,5-7H,3-4,12H2
InChIKeyFBRPDAOQIYGBRJ-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 60875546
3-fluoro-5-(4-methylpiperidin-1-yl)aniline
CID 60874969
3-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoroaniline
CID 60877080
[1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol
CID 60877658
3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)aniline
CID 62992237
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-fluoroaniline
CID 63151057
3-(3-ethylpiperidin-1-yl)-5-fluoroaniline
CID 60876528
2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide
CID 54988921
3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoroaniline
CID 63609800
3-fluoro-5-(2-methylazetidin-1-yl)aniline
CID 107335478
4-(3-amino-5-fluorophenyl)-1,2,4-triazolidine-3,5-dione
CID 107409356
3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 28799981

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline?
The IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline (CID 107335472) is 3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline.
What is the SMILES notation for 3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline?
The canonical SMILES for 3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline is Nc1cc(F)cc(N2CC=CC2)c1.
What is the InChIKey of 3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline?
The InChIKey is FBRPDAOQIYGBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h1-2,5-7H,3-4,12H2.
What are the key properties of 3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline?
3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline has a molecular weight of 178.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline is sourced from PubChem (CID 107335472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).