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

C14H13F3N2O2 — CID 63593633

IUPAC4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
SMILESCOc1ccccc1Nc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H13F3N2O2/c1-20-12-5-3-2-4-10(12)19-11-7-13(21-14(16)17)8(15)6-9(11)18/h2-7,14,19H,18H2,1H3
InChIKeyUHXPEBCEZSWTRD-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.76
Rot. Bonds5

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

4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine (PubChem CID 63593633) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
PubChem CID63593633
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
SMILESCOc1ccccc1Nc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H13F3N2O2/c1-20-12-5-3-2-4-10(12)19-11-7-13(21-14(16)17)8(15)6-9(11)18/h2-7,14,19H,18H2,1H3
InChIKeyUHXPEBCEZSWTRD-UHFFFAOYSA-N
XLogP3.76
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine
CID 63592922
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
CID 63599048
2-N-(3-chloro-2-methylphenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63593804
2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63592041
4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63593460
1-N-(2-ethylphenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593992
4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
CID 63599579
1-N-(2-bromo-4-fluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597815
2,4-difluoro-N-(2-methoxyphenyl)aniline
CID 82537085
2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine
CID 107258709
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167
4-fluoro-5-methoxy-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 63598024

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine (CID 63593633) is 4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine is COc1ccccc1Nc1cc(OC(F)F)c(F)cc1N.
What is the InChIKey of 4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine?
The InChIKey is UHXPEBCEZSWTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-20-12-5-3-2-4-10(12)19-11-7-13(21-14(16)17)8(15)6-9(11)18/h2-7,14,19H,18H2,1H3.
What are the key properties of 4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine?
4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine has a molecular weight of 298.26 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 63593633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).