2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane

C13H14F2N2O2 — CID 134204994

IUPAC2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane
SMILESFCF.Nc1cc(-c2ccc(N)c(O)c2)ccc1O
InChIInChI=1S/C12H12N2O2.CH2F2/c13-9-3-1-8(6-12(9)16)7-2-4-11(15)10(14)5-7;2-1-3/h1-6,15-16H,13-14H2;1H2
InChIKeyPRJLVNWQOFJBFR-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.81
Rot. Bonds1

About 2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane

2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane (PubChem CID 134204994) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane.

Molecular Properties

Compound Name2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane
PubChem CID134204994
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane
SMILESFCF.Nc1cc(-c2ccc(N)c(O)c2)ccc1O
InChIInChI=1S/C12H12N2O2.CH2F2/c13-9-3-1-8(6-12(9)16)7-2-4-11(15)10(14)5-7;2-1-3/h1-6,15-16H,13-14H2;1H2
InChIKeyPRJLVNWQOFJBFR-UHFFFAOYSA-N
XLogP2.81
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol
CID 135755462
2-amino-5-(2,6-dimethyl-4-pyridinyl)phenol
CID 20564343
2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396
2-amino-5-thiophen-3-ylphenol;hydrochloride
CID 68526795
2-amino-4-(2,4-diaminophenyl)phenol
CID 22062032
2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol
CID 136872415
2-amino-4-(2H-tetrazol-5-yl)phenol
CID 135648881
4-(3,4-diaminophenyl)phenol
CID 19907643
2-amino-4-(hydroxymethyl)phenol
CID 12000270
2,5-diaminobenzene-1,4-diol;dihydrobromide
CID 70601230
2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenol
CID 12994034

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane?
The IUPAC name of 2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane (CID 134204994) is 2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane.
What is the SMILES notation for 2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane?
The canonical SMILES for 2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane is FCF.Nc1cc(-c2ccc(N)c(O)c2)ccc1O.
What is the InChIKey of 2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane?
The InChIKey is PRJLVNWQOFJBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.CH2F2/c13-9-3-1-8(6-12(9)16)7-2-4-11(15)10(14)5-7;2-1-3/h1-6,15-16H,13-14H2;1H2.
What are the key properties of 2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane?
2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane has a molecular weight of 268.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane is sourced from PubChem (CID 134204994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).