4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine

C13H12F2N2O — CID 63599048

IUPAC4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
SMILESCOc1cc(Nc2ccccc2F)c(N)cc1F
InChIInChI=1S/C13H12F2N2O/c1-18-13-7-12(10(16)6-9(13)15)17-11-5-3-2-4-8(11)14/h2-7,17H,16H2,1H3
InChIKeyHVZADQPROKXNFP-UHFFFAOYSA-N
MW250.25 g/mol
LogP3.30
Rot. Bonds3

About 4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine

4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine (PubChem CID 63599048) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
PubChem CID63599048
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
SMILESCOc1cc(Nc2ccccc2F)c(N)cc1F
InChIInChI=1S/C13H12F2N2O/c1-18-13-7-12(10(16)6-9(13)15)17-11-5-3-2-4-8(11)14/h2-7,17H,16H2,1H3
InChIKeyHVZADQPROKXNFP-UHFFFAOYSA-N
XLogP3.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
CID 63593633
4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
CID 63599579
1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine
CID 113392493
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167
1-N-(2-bromo-4-fluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597815
4-fluoro-5-methoxy-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 63598024
4-fluoro-5-methoxy-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 63600094
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 102852460
2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine
CID 107258709
1-N-(2,5-dichloro-4-methylphenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 104725821
4-fluoro-5-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259828
4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63593460

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine (CID 63599048) is 4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine is COc1cc(Nc2ccccc2F)c(N)cc1F.
What is the InChIKey of 4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine?
The InChIKey is HVZADQPROKXNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-18-13-7-12(10(16)6-9(13)15)17-11-5-3-2-4-8(11)14/h2-7,17H,16H2,1H3.
What are the key properties of 4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine?
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine has a molecular weight of 250.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine is sourced from PubChem (CID 63599048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).