2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine

C13H11F3N2O — CID 114837137

IUPAC2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1cc(Nc2c(F)cc(N)cc2F)ccc1F
InChIInChI=1S/C13H11F3N2O/c1-19-12-6-8(2-3-9(12)14)18-13-10(15)4-7(17)5-11(13)16/h2-6,18H,17H2,1H3
InChIKeyKRFZYPZHGHPJKH-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.44
Rot. Bonds3

About 2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine

2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine (PubChem CID 114837137) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
PubChem CID114837137
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
SMILESCOc1cc(Nc2c(F)cc(N)cc2F)ccc1F
InChIInChI=1S/C13H11F3N2O/c1-19-12-6-8(2-3-9(12)14)18-13-10(15)4-7(17)5-11(13)16/h2-6,18H,17H2,1H3
InChIKeyKRFZYPZHGHPJKH-UHFFFAOYSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.44
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

2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 114837165
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
CID 114837261
1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837167
2-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837286
2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine
CID 54902891
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
1-N-(4-chloro-3-fluorophenyl)-2,6-difluorobenzene-1,4-diamine
CID 54955427
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine (CID 114837137) is 2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine is COc1cc(Nc2c(F)cc(N)cc2F)ccc1F.
What is the InChIKey of 2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine?
The InChIKey is KRFZYPZHGHPJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-19-12-6-8(2-3-9(12)14)18-13-10(15)4-7(17)5-11(13)16/h2-6,18H,17H2,1H3.
What are the key properties of 2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine?
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine has a molecular weight of 268.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 114837137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).