2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol

C18H12F4N2O4 — CID 139971174

IUPAC2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol
SMILESNc1ccc(Oc2c(F)c(F)c(F)c(F)c2Oc2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C18H12F4N2O4/c19-13-14(20)16(22)18(28-8-2-4-10(24)12(26)6-8)17(15(13)21)27-7-1-3-9(23)11(25)5-7/h1-6,25-26H,23-24H2
InChIKeyFHUPJRDHPVAVLF-UHFFFAOYSA-N
MW396.30 g/mol
LogP4.40
Rot. Bonds4

About 2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol

2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol (PubChem CID 139971174) has the molecular formula C18H12F4N2O4 and a molecular weight of 396.30 g/mol. Its IUPAC name is 2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol.

Molecular Properties

Compound Name2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol
PubChem CID139971174
Molecular FormulaC18H12F4N2O4
Molecular Weight396.30 g/mol
Exact Mass396.07
IUPAC Name2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol
SMILESNc1ccc(Oc2c(F)c(F)c(F)c(F)c2Oc2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C18H12F4N2O4/c19-13-14(20)16(22)18(28-8-2-4-10(24)12(26)6-8)17(15(13)21)27-7-1-3-9(23)11(25)5-7/h1-6,25-26H,23-24H2
InChIKeyFHUPJRDHPVAVLF-UHFFFAOYSA-N
XLogP4.40
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[4-(4-amino-3-carboxyphenoxy)-2,3,5,6-tetrafluorophenoxy]benzoic acid;benzene
CID 158765392
2-N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)benzene-1,2-diamine
CID 18461398
5-amino-2-(4-amino-3-hydroxyphenoxy)phenol
CID 66776227
2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid
CID 141051376
2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-1,2,3,3,4,4-hexafluorocyclobutyl]oxyphenol
CID 139934630
3,5-bis(4-amino-3-hydroxyphenoxy)benzoic acid;hydrochloride
CID 141051377
(4-amino-3-hydroxyphenyl) trifluoromethanesulfonate
CID 145133323
2-amino-5-[4-[10-[4-(4-methylphenoxy)phenyl]anthracen-9-yl]phenoxy]phenol
CID 22979018
2-amino-5-[3-(4-amino-3-hydroxyphenoxy)-2,4-bis(2-phenylethynyl)phenoxy]phenol
CID 139999367
2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol
CID 117220491
4-[[4-(4-amino-3-hydroxyphenoxy)-3,5,6-trifluoro-2-pyridinyl]oxy]benzoic acid;(2-aminophenyl) hydrogen carbonate
CID 67567975
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
CID 54083625

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol?
The IUPAC name of 2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol (CID 139971174) is 2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol.
What is the SMILES notation for 2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol?
The canonical SMILES for 2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol is Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2Oc2ccc(N)c(O)c2)cc1O.
What is the InChIKey of 2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol?
The InChIKey is FHUPJRDHPVAVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O4/c19-13-14(20)16(22)18(28-8-2-4-10(24)12(26)6-8)17(15(13)21)27-7-1-3-9(23)11(25)5-7/h1-6,25-26H,23-24H2.
What are the key properties of 2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol?
2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol has a molecular weight of 396.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol is sourced from PubChem (CID 139971174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).