4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine

C13H10F3IN2O — CID 63592922

IUPAC4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine
SMILESNc1cc(F)c(OC(F)F)cc1Nc1ccccc1I
InChIInChI=1S/C13H10F3IN2O/c14-7-5-9(18)11(6-12(7)20-13(15)16)19-10-4-2-1-3-8(10)17/h1-6,13,19H,18H2
InChIKeyJYGWPBOTEUDVMB-UHFFFAOYSA-N
MW394.13 g/mol
LogP4.36
Rot. Bonds4

About 4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine

4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine (PubChem CID 63592922) has the molecular formula C13H10F3IN2O and a molecular weight of 394.13 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine
PubChem CID63592922
Molecular FormulaC13H10F3IN2O
Molecular Weight394.13 g/mol
Exact Mass393.98
IUPAC Name4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine
SMILESNc1cc(F)c(OC(F)F)cc1Nc1ccccc1I
InChIInChI=1S/C13H10F3IN2O/c14-7-5-9(18)11(6-12(7)20-13(15)16)19-10-4-2-1-3-8(10)17/h1-6,13,19H,18H2
InChIKeyJYGWPBOTEUDVMB-UHFFFAOYSA-N
XLogP4.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.13
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
CID 63593633
2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63592041
2-N-(3-chloro-2-methylphenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63593804
2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine
CID 107258709
4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63593460
4-bromo-5-fluoro-1-N-(2-iodophenyl)benzene-1,2-diamine
CID 66109712
1-N-(2-ethylphenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593992
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
CID 63599048
2-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63592047
2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 55215701
4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 63926092
1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593134

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine?
The IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine (CID 63592922) is 4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine?
The canonical SMILES for 4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine is Nc1cc(F)c(OC(F)F)cc1Nc1ccccc1I.
What is the InChIKey of 4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine?
The InChIKey is JYGWPBOTEUDVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3IN2O/c14-7-5-9(18)11(6-12(7)20-13(15)16)19-10-4-2-1-3-8(10)17/h1-6,13,19H,18H2.
What are the key properties of 4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine?
4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine has a molecular weight of 394.13 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine is sourced from PubChem (CID 63592922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).