4-(4-azidobut-1-enyl)-2-fluoroaniline

C10H11FN4 — CID 170484952

IUPAC4-(4-azidobut-1-enyl)-2-fluoroaniline
SMILES[N-]=[N+]=NCCC=Cc1ccc(N)c(F)c1
InChIInChI=1S/C10H11FN4/c11-9-7-8(4-5-10(9)12)3-1-2-6-14-15-13/h1,3-5,7H,2,6,12H2
InChIKeyZXZCTLYBSAKDJX-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.12
Rot. Bonds4

About 4-(4-azidobut-1-enyl)-2-fluoroaniline

4-(4-azidobut-1-enyl)-2-fluoroaniline (PubChem CID 170484952) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-(4-azidobut-1-enyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(4-azidobut-1-enyl)-2-fluoroaniline
PubChem CID170484952
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name4-(4-azidobut-1-enyl)-2-fluoroaniline
SMILES[N-]=[N+]=NCCC=Cc1ccc(N)c(F)c1
InChIInChI=1S/C10H11FN4/c11-9-7-8(4-5-10(9)12)3-1-2-6-14-15-13/h1,3-5,7H,2,6,12H2
InChIKeyZXZCTLYBSAKDJX-UHFFFAOYSA-N
XLogP3.12
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde
CID 170485168
2-amino-5-(4-azidobut-1-enyl)benzonitrile
CID 170485219
1-[5-(4-azidobut-1-enyl)-2-fluorophenyl]ethanone
CID 170485561
[2-amino-5-(4-azidobut-1-enyl)phenyl]-phenylmethanone
CID 170486274
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
CID 169453039
5-(4-azidobut-1-enyl)-2-chloro-3-fluoropyridine
CID 170485000
methyl 5-(4-azidobut-1-enyl)-2-fluorobenzoate
CID 170485787
4-(4-azidobut-1-enyl)-1-bromo-2-chlorobenzene
CID 170486314
4-(4-azidobut-1-enyl)-2-bromophenol
CID 170486320
6-(4-azidobut-1-enyl)quinazolin-4-amine
CID 170486033
3-(4-azidobut-1-enyl)-5-(trifluoromethyl)aniline
CID 170485890

Frequently Asked Questions

What is the IUPAC name of 4-(4-azidobut-1-enyl)-2-fluoroaniline?
The IUPAC name of 4-(4-azidobut-1-enyl)-2-fluoroaniline (CID 170484952) is 4-(4-azidobut-1-enyl)-2-fluoroaniline.
What is the SMILES notation for 4-(4-azidobut-1-enyl)-2-fluoroaniline?
The canonical SMILES for 4-(4-azidobut-1-enyl)-2-fluoroaniline is [N-]=[N+]=NCCC=Cc1ccc(N)c(F)c1.
What is the InChIKey of 4-(4-azidobut-1-enyl)-2-fluoroaniline?
The InChIKey is ZXZCTLYBSAKDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-9-7-8(4-5-10(9)12)3-1-2-6-14-15-13/h1,3-5,7H,2,6,12H2.
What are the key properties of 4-(4-azidobut-1-enyl)-2-fluoroaniline?
4-(4-azidobut-1-enyl)-2-fluoroaniline has a molecular weight of 206.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azidobut-1-enyl)-2-fluoroaniline is sourced from PubChem (CID 170484952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).