1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine

C10H11FN2 — CID 166090232

IUPAC1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine
SMILESC=CN(C=C)c1ccc(F)cc1N
InChIInChI=1S/C10H11FN2/c1-3-13(4-2)10-6-5-8(11)7-9(10)12/h3-7H,1-2,12H2
InChIKeyFGYWDZSFYCKTKK-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.50
Rot. Bonds3

About 1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine

1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine (PubChem CID 166090232) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine
PubChem CID166090232
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine
SMILESC=CN(C=C)c1ccc(F)cc1N
InChIInChI=1S/C10H11FN2/c1-3-13(4-2)10-6-5-8(11)7-9(10)12/h3-7H,1-2,12H2
InChIKeyFGYWDZSFYCKTKK-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[amino(ethyl)amino]-5-fluoroaniline
CID 134239399
1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 115124740
5-fluoro-2-(methylideneamino)aniline
CID 123575446
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine
CID 43274256
4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981611
1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62001859
4-fluoro-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 28798518
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
2,5-difluoroaniline;ethane
CID 143759951
1-N-(4-bromothiophen-2-yl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 115124770
4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 54980798

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine (CID 166090232) is 1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine is C=CN(C=C)c1ccc(F)cc1N.
What is the InChIKey of 1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is FGYWDZSFYCKTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-3-13(4-2)10-6-5-8(11)7-9(10)12/h3-7H,1-2,12H2.
What are the key properties of 1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine?
1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 178.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 166090232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).