2-(2-aminoethyl)-3,4-difluoroaniline

C8H10F2N2 — CID 55254324

IUPAC2-(2-aminoethyl)-3,4-difluoroaniline
SMILESNCCc1c(N)ccc(F)c1F
InChIInChI=1S/C8H10F2N2/c9-6-1-2-7(12)5(3-4-11)8(6)10/h1-2H,3-4,11-12H2
InChIKeyKZYIGQCFVVVTRO-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.05
Rot. Bonds2

About 2-(2-aminoethyl)-3,4-difluoroaniline

2-(2-aminoethyl)-3,4-difluoroaniline (PubChem CID 55254324) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3,4-difluoroaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-3,4-difluoroaniline
PubChem CID55254324
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-(2-aminoethyl)-3,4-difluoroaniline
SMILESNCCc1c(N)ccc(F)c1F
InChIInChI=1S/C8H10F2N2/c9-6-1-2-7(12)5(3-4-11)8(6)10/h1-2H,3-4,11-12H2
InChIKeyKZYIGQCFVVVTRO-UHFFFAOYSA-N
XLogP1.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3,4-difluoroaniline?
The IUPAC name of 2-(2-aminoethyl)-3,4-difluoroaniline (CID 55254324) is 2-(2-aminoethyl)-3,4-difluoroaniline.
What is the SMILES notation for 2-(2-aminoethyl)-3,4-difluoroaniline?
The canonical SMILES for 2-(2-aminoethyl)-3,4-difluoroaniline is NCCc1c(N)ccc(F)c1F.
What is the InChIKey of 2-(2-aminoethyl)-3,4-difluoroaniline?
The InChIKey is KZYIGQCFVVVTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c9-6-1-2-7(12)5(3-4-11)8(6)10/h1-2H,3-4,11-12H2.
What are the key properties of 2-(2-aminoethyl)-3,4-difluoroaniline?
2-(2-aminoethyl)-3,4-difluoroaniline has a molecular weight of 172.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3,4-difluoroaniline is sourced from PubChem (CID 55254324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).