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

C10H10ClFN2 — CID 131185813

IUPAC4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline
SMILESNc1ccc(Cl)c(F)c1N1CC=CC1
InChIInChI=1S/C10H10ClFN2/c11-7-3-4-8(13)10(9(7)12)14-5-1-2-6-14/h1-4H,5-6,13H2
InChIKeyUGYNROFHZXANFF-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.44
Rot. Bonds1

About 4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline

4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline (PubChem CID 131185813) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline
PubChem CID131185813
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline
SMILESNc1ccc(Cl)c(F)c1N1CC=CC1
InChIInChI=1S/C10H10ClFN2/c11-7-3-4-8(13)10(9(7)12)14-5-1-2-6-14/h1-4H,5-6,13H2
InChIKeyUGYNROFHZXANFF-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline?
The IUPAC name of 4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline (CID 131185813) is 4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline.
What is the SMILES notation for 4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline?
The canonical SMILES for 4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline is Nc1ccc(Cl)c(F)c1N1CC=CC1.
What is the InChIKey of 4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline?
The InChIKey is UGYNROFHZXANFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c11-7-3-4-8(13)10(9(7)12)14-5-1-2-6-14/h1-4H,5-6,13H2.
What are the key properties of 4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline?
4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline has a molecular weight of 212.66 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dihydropyrrol-1-yl)-3-fluoroaniline is sourced from PubChem (CID 131185813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).