4,5-difluoro-2-pyrrolidin-1-ylaniline

C10H12F2N2 — CID 130536593

IUPAC4,5-difluoro-2-pyrrolidin-1-ylaniline
SMILESNc1cc(F)c(F)cc1N1CCCC1
InChIInChI=1S/C10H12F2N2/c11-7-5-9(13)10(6-8(7)12)14-3-1-2-4-14/h5-6H,1-4,13H2
InChIKeySXZKSIRXDPTNPB-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.15
Rot. Bonds1

About 4,5-difluoro-2-pyrrolidin-1-ylaniline

4,5-difluoro-2-pyrrolidin-1-ylaniline (PubChem CID 130536593) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4,5-difluoro-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name4,5-difluoro-2-pyrrolidin-1-ylaniline
PubChem CID130536593
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4,5-difluoro-2-pyrrolidin-1-ylaniline
SMILESNc1cc(F)c(F)cc1N1CCCC1
InChIInChI=1S/C10H12F2N2/c11-7-5-9(13)10(6-8(7)12)14-3-1-2-4-14/h5-6H,1-4,13H2
InChIKeySXZKSIRXDPTNPB-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-difluoro-2-pyrrolidin-1-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azocan-1-yl)-5-bromo-4-fluoroaniline
CID 66110484
2-(azepan-1-yl)-5-fluoro-4-methylaniline
CID 103589726
2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
2,4-difluoro-6-piperidin-1-ylaniline
CID 115506411
5-bromo-4-fluoro-2-(1,4-thiazepan-4-yl)aniline
CID 66112085
4-chloro-2-pyrrolidin-1-ylaniline
CID 58812033
4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one
CID 112751827
2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845
1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
CID 86233327

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-pyrrolidin-1-ylaniline?
The IUPAC name of 4,5-difluoro-2-pyrrolidin-1-ylaniline (CID 130536593) is 4,5-difluoro-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for 4,5-difluoro-2-pyrrolidin-1-ylaniline?
The canonical SMILES for 4,5-difluoro-2-pyrrolidin-1-ylaniline is Nc1cc(F)c(F)cc1N1CCCC1.
What is the InChIKey of 4,5-difluoro-2-pyrrolidin-1-ylaniline?
The InChIKey is SXZKSIRXDPTNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-7-5-9(13)10(6-8(7)12)14-3-1-2-4-14/h5-6H,1-4,13H2.
What are the key properties of 4,5-difluoro-2-pyrrolidin-1-ylaniline?
4,5-difluoro-2-pyrrolidin-1-ylaniline has a molecular weight of 198.22 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 130536593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).