4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine

C12H12FN3 — CID 154140072

IUPAC4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(N)c(F)c2)cc1
InChIInChI=1S/C12H12FN3/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,16H,14-15H2
InChIKeyHGCVCVWDZHOYKW-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.73
Rot. Bonds2

About 4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine

4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine (PubChem CID 154140072) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine
PubChem CID154140072
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(N)c(F)c2)cc1
InChIInChI=1S/C12H12FN3/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,16H,14-15H2
InChIKeyHGCVCVWDZHOYKW-UHFFFAOYSA-N
XLogP2.73
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309
5-(4-aminoanilino)-2-(2-aminoethyl)phenol
CID 170888335
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
2-fluoro-4-N-(2-methyl-1,3-benzoxazol-5-yl)benzene-1,4-diamine
CID 115123777
2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine
CID 135123549
1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067140
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
CID 106750291
2-amino-5-(4-bromo-3-fluoroanilino)benzonitrile
CID 115499569
2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine
CID 115123757
4-(4-amino-3-fluoroanilino)-2-(2-aminopyrimidin-4-yl)phenol
CID 164863272

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine?
The IUPAC name of 4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine (CID 154140072) is 4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine is Nc1ccc(Nc2ccc(N)c(F)c2)cc1.
What is the InChIKey of 4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine?
The InChIKey is HGCVCVWDZHOYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,16H,14-15H2.
What are the key properties of 4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine?
4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine has a molecular weight of 217.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 154140072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).