2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine

C12H8ClF2IN2 — CID 66102226

IUPAC2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8ClF2IN2/c13-7-3-6(1-2-8(7)14)18-12-4-9(15)10(16)5-11(12)17/h1-5,18H,17H2
InChIKeyWDKBSPKKUPRYRA-UHFFFAOYSA-N
MW380.56 g/mol
LogP4.55
Rot. Bonds2

About 2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine

2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine (PubChem CID 66102226) has the molecular formula C12H8ClF2IN2 and a molecular weight of 380.56 g/mol. Its IUPAC name is 2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine
PubChem CID66102226
Molecular FormulaC12H8ClF2IN2
Molecular Weight380.56 g/mol
Exact Mass379.94
IUPAC Name2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8ClF2IN2/c13-7-3-6(1-2-8(7)14)18-12-4-9(15)10(16)5-11(12)17/h1-5,18H,17H2
InChIKeyWDKBSPKKUPRYRA-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
CID 66101051
4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine
CID 66100498
4-chloro-1-N-(4-chloro-3-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 66077226
4-fluoro-5-iodo-2-N-phenylbenzene-1,2-diamine
CID 66101823
4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 66102468
4-chloro-5-fluoro-2-N-(3-iodo-4-methylphenyl)benzene-1,2-diamine
CID 114257054
6-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 29067543
1-N-(4-bromo-3-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66078253
4-fluoro-5-iodo-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 66100059
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240
2-N-(1,3-benzothiazol-6-yl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 107802835
2-N-(4-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66100055

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine (CID 66102226) is 2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine is Nc1cc(I)c(F)cc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The InChIKey is WDKBSPKKUPRYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2IN2/c13-7-3-6(1-2-8(7)14)18-12-4-9(15)10(16)5-11(12)17/h1-5,18H,17H2.
What are the key properties of 2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine?
2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine has a molecular weight of 380.56 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine is sourced from PubChem (CID 66102226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).