2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine

C13H9F5N2O — CID 107643379

IUPAC2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine
SMILESCOc1cc(Nc2c(F)c(F)cc(F)c2F)c(F)cc1N
InChIInChI=1S/C13H9F5N2O/c1-21-10-4-9(5(14)3-8(10)19)20-13-11(17)6(15)2-7(16)12(13)18/h2-4,20H,19H2,1H3
InChIKeyFHBPGXVVILVRPI-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.72
Rot. Bonds3

About 2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine

2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine (PubChem CID 107643379) has the molecular formula C13H9F5N2O and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine
PubChem CID107643379
Molecular FormulaC13H9F5N2O
Molecular Weight304.22 g/mol
Exact Mass304.06
IUPAC Name2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine
SMILESCOc1cc(Nc2c(F)c(F)cc(F)c2F)c(F)cc1N
InChIInChI=1S/C13H9F5N2O/c1-21-10-4-9(5(14)3-8(10)19)20-13-11(17)6(15)2-7(16)12(13)18/h2-4,20H,19H2,1H3
InChIKeyFHBPGXVVILVRPI-UHFFFAOYSA-N
XLogP3.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
3-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,2-diamine
CID 107643367
1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258702
2-fluoro-5-methoxy-1-N-(4-methoxy-3-methylphenyl)benzene-1,4-diamine
CID 107258978
2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine
CID 107258709
1-N-(5-chloro-2-methylphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258741
1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258678
1-N-(4-chloro-2-iodophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107634307
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 102852460
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
1-N-(4-bromo-2-chlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258759
1-N-[(2,2-dimethylcyclopropyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 114107445

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine (CID 107643379) is 2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine is COc1cc(Nc2c(F)c(F)cc(F)c2F)c(F)cc1N.
What is the InChIKey of 2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine?
The InChIKey is FHBPGXVVILVRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2O/c1-21-10-4-9(5(14)3-8(10)19)20-13-11(17)6(15)2-7(16)12(13)18/h2-4,20H,19H2,1H3.
What are the key properties of 2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine?
2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine has a molecular weight of 304.22 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine is sourced from PubChem (CID 107643379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).