4-(4-aminobut-1-enyl)-3,5-difluoroaniline

C10H12F2N2 — CID 170487004

IUPAC4-(4-aminobut-1-enyl)-3,5-difluoroaniline
SMILESNCCC=Cc1c(F)cc(N)cc1F
InChIInChI=1S/C10H12F2N2/c11-9-5-7(14)6-10(12)8(9)3-1-2-4-13/h1,3,5-6H,2,4,13-14H2
InChIKeySENRHIQTBHOJLX-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.91
Rot. Bonds3

About 4-(4-aminobut-1-enyl)-3,5-difluoroaniline

4-(4-aminobut-1-enyl)-3,5-difluoroaniline (PubChem CID 170487004) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(4-aminobut-1-enyl)-3,5-difluoroaniline.

Molecular Properties

Compound Name4-(4-aminobut-1-enyl)-3,5-difluoroaniline
PubChem CID170487004
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(4-aminobut-1-enyl)-3,5-difluoroaniline
SMILESNCCC=Cc1c(F)cc(N)cc1F
InChIInChI=1S/C10H12F2N2/c11-9-5-7(14)6-10(12)8(9)3-1-2-4-13/h1,3,5-6H,2,4,13-14H2
InChIKeySENRHIQTBHOJLX-UHFFFAOYSA-N
XLogP1.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.91
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 4-(4-aminobut-1-enyl)-3,5-difluoroaniline?
The IUPAC name of 4-(4-aminobut-1-enyl)-3,5-difluoroaniline (CID 170487004) is 4-(4-aminobut-1-enyl)-3,5-difluoroaniline.
What is the SMILES notation for 4-(4-aminobut-1-enyl)-3,5-difluoroaniline?
The canonical SMILES for 4-(4-aminobut-1-enyl)-3,5-difluoroaniline is NCCC=Cc1c(F)cc(N)cc1F.
What is the InChIKey of 4-(4-aminobut-1-enyl)-3,5-difluoroaniline?
The InChIKey is SENRHIQTBHOJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-9-5-7(14)6-10(12)8(9)3-1-2-4-13/h1,3,5-6H,2,4,13-14H2.
What are the key properties of 4-(4-aminobut-1-enyl)-3,5-difluoroaniline?
4-(4-aminobut-1-enyl)-3,5-difluoroaniline has a molecular weight of 198.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobut-1-enyl)-3,5-difluoroaniline is sourced from PubChem (CID 170487004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).