4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline

C10H11F3N2 — CID 155026115

IUPAC4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline
SMILESFNc1ccc(N2CCC(F)(F)C2)cc1
InChIInChI=1S/C10H11F3N2/c11-10(12)5-6-15(7-10)9-3-1-8(14-13)2-4-9/h1-4,14H,5-7H2
InChIKeyAXIWFHPSEXILGA-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.83
Rot. Bonds2

About 4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline

4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline (PubChem CID 155026115) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline
PubChem CID155026115
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline
SMILESFNc1ccc(N2CCC(F)(F)C2)cc1
InChIInChI=1S/C10H11F3N2/c11-10(12)5-6-15(7-10)9-3-1-8(14-13)2-4-9/h1-4,14H,5-7H2
InChIKeyAXIWFHPSEXILGA-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline (CID 155026115) is 4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline is FNc1ccc(N2CCC(F)(F)C2)cc1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline?
The InChIKey is AXIWFHPSEXILGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12)5-6-15(7-10)9-3-1-8(14-13)2-4-9/h1-4,14H,5-7H2.
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline?
4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline has a molecular weight of 216.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline is sourced from PubChem (CID 155026115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).