2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine

C8H10BrFN2 — CID 163404766

IUPAC2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine
SMILESNc1ccc(NCCF)cc1Br
InChIInChI=1S/C8H10BrFN2/c9-7-5-6(12-4-3-10)1-2-8(7)11/h1-2,5,12H,3-4,11H2
InChIKeyFUTYXIBXORWTMF-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.41
Rot. Bonds3

About 2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine

2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine (PubChem CID 163404766) has the molecular formula C8H10BrFN2 and a molecular weight of 233.08 g/mol. Its IUPAC name is 2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine
PubChem CID163404766
Molecular FormulaC8H10BrFN2
Molecular Weight233.08 g/mol
Exact Mass232.00
IUPAC Name2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine
SMILESNc1ccc(NCCF)cc1Br
InChIInChI=1S/C8H10BrFN2/c9-7-5-6(12-4-3-10)1-2-8(7)11/h1-2,5,12H,3-4,11H2
InChIKeyFUTYXIBXORWTMF-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-fluoropropyl)benzene-1,2,4-triamine
CID 126976135
N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide
CID 82861698
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
3-bromo-4-chloro-N-(3-fluoropropyl)aniline
CID 81107325
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
4-N-(2-aminoethyl)-2-(aminomethyl)benzene-1,4-diamine
CID 151839245
1-(4-amino-3-bromophenyl)-3-propylurea
CID 82861515
2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine
CID 114804926
3-(4-amino-3-methylanilino)propyl-methyl-propylazanium;2-methyl-4-N-propylbenzene-1,4-diamine
CID 144516192
N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
CID 82862185
2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
CID 163790181

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine?
The IUPAC name of 2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine (CID 163404766) is 2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine?
The canonical SMILES for 2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine is Nc1ccc(NCCF)cc1Br.
What is the InChIKey of 2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine?
The InChIKey is FUTYXIBXORWTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2/c9-7-5-6(12-4-3-10)1-2-8(7)11/h1-2,5,12H,3-4,11H2.
What are the key properties of 2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine?
2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine has a molecular weight of 233.08 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine is sourced from PubChem (CID 163404766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).