3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine

C12H8F3IN2 — CID 59386306

IUPAC3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C12H8F3IN2/c13-7-2-3-9(17)12(11(7)15)18-10-4-1-6(16)5-8(10)14/h1-5,18H,17H2
InChIKeySAWNQHAMLZSIMQ-UHFFFAOYSA-N
MW364.11 g/mol
LogP4.03
Rot. Bonds2

About 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine

3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine (PubChem CID 59386306) has the molecular formula C12H8F3IN2 and a molecular weight of 364.11 g/mol. Its IUPAC name is 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
PubChem CID59386306
Molecular FormulaC12H8F3IN2
Molecular Weight364.11 g/mol
Exact Mass363.97
IUPAC Name3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C12H8F3IN2/c13-7-2-3-9(17)12(11(7)15)18-10-4-1-6(16)5-8(10)14/h1-5,18H,17H2
InChIKeySAWNQHAMLZSIMQ-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.11
LogP ≤ 54.03
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

3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576
2-N-(4-bromo-2-methylphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62533328
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 167361757
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-N-hydroxyazetidine-3-carboxamide
CID 87589073
N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 175276663
2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62532309
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide
CID 53492153
2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde
CID 89144915
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]thiophene-3-sulfonamide
CID 53492223
2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
CID 174579692
2-(azetidin-3-ylamino)-1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]propan-1-one
CID 175047798
4-bromo-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]thiophene-3-sulfonamide
CID 53492429

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine (CID 59386306) is 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine is Nc1ccc(F)c(F)c1Nc1ccc(I)cc1F.
What is the InChIKey of 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine?
The InChIKey is SAWNQHAMLZSIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3IN2/c13-7-2-3-9(17)12(11(7)15)18-10-4-1-6(16)5-8(10)14/h1-5,18H,17H2.
What are the key properties of 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine?
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine has a molecular weight of 364.11 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine is sourced from PubChem (CID 59386306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).