2-cyclopent-2-en-1-yl-3,4-difluoroaniline

C11H11F2N — CID 15853420

IUPAC2-cyclopent-2-en-1-yl-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1C1C=CCC1
InChIInChI=1S/C11H11F2N/c12-8-5-6-9(14)10(11(8)13)7-3-1-2-4-7/h1,3,5-7H,2,4,14H2
InChIKeyIZAKAFXOTREUNG-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.98
Rot. Bonds1

About 2-cyclopent-2-en-1-yl-3,4-difluoroaniline

2-cyclopent-2-en-1-yl-3,4-difluoroaniline (PubChem CID 15853420) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-3,4-difluoroaniline.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-3,4-difluoroaniline
PubChem CID15853420
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name2-cyclopent-2-en-1-yl-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1C1C=CCC1
InChIInChI=1S/C11H11F2N/c12-8-5-6-9(14)10(11(8)13)7-3-1-2-4-7/h1,3,5-7H,2,4,14H2
InChIKeyIZAKAFXOTREUNG-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-cyclopent-2-en-1-yl-3,4-difluoroaniline?
The IUPAC name of 2-cyclopent-2-en-1-yl-3,4-difluoroaniline (CID 15853420) is 2-cyclopent-2-en-1-yl-3,4-difluoroaniline.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-3,4-difluoroaniline?
The canonical SMILES for 2-cyclopent-2-en-1-yl-3,4-difluoroaniline is Nc1ccc(F)c(F)c1C1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-3,4-difluoroaniline?
The InChIKey is IZAKAFXOTREUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c12-8-5-6-9(14)10(11(8)13)7-3-1-2-4-7/h1,3,5-7H,2,4,14H2.
What are the key properties of 2-cyclopent-2-en-1-yl-3,4-difluoroaniline?
2-cyclopent-2-en-1-yl-3,4-difluoroaniline has a molecular weight of 195.21 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-3,4-difluoroaniline is sourced from PubChem (CID 15853420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).