2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol

C19H10F16N2O2 — CID 18465612

IUPAC2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol
SMILESNc1cc(C(c2cc(N)c(O)c(C(F)(F)C(F)(F)F)c2)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)C(F)(F)F)c1O
InChIInChI=1S/C19H10F16N2O2/c20-14(21,18(30,31)32)7-1-5(3-9(36)11(7)38)13(16(24,25)26,17(27,28)29)6-2-8(12(39)10(37)4-6)15(22,23)19(33,34)35/h1-4,38-39H,36-37H2
InChIKeyGCPBXBPTVLXELM-UHFFFAOYSA-N
MW602.27 g/mol
LogP6.98
Rot. Bonds4

About 2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol

2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol (PubChem CID 18465612) has the molecular formula C19H10F16N2O2 and a molecular weight of 602.27 g/mol. Its IUPAC name is 2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol.

Molecular Properties

Compound Name2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol
PubChem CID18465612
Molecular FormulaC19H10F16N2O2
Molecular Weight602.27 g/mol
Exact Mass602.05
IUPAC Name2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol
SMILESNc1cc(C(c2cc(N)c(O)c(C(F)(F)C(F)(F)F)c2)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)C(F)(F)F)c1O
InChIInChI=1S/C19H10F16N2O2/c20-14(21,18(30,31)32)7-1-5(3-9(36)11(7)38)13(16(24,25)26,17(27,28)29)6-2-8(12(39)10(37)4-6)15(22,23)19(33,34)35/h1-4,38-39H,36-37H2
InChIKeyGCPBXBPTVLXELM-UHFFFAOYSA-N
XLogP6.98
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.27
LogP ≤ 56.98
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The IUPAC name of 2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol (CID 18465612) is 2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol.
What is the SMILES notation for 2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The canonical SMILES for 2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol is Nc1cc(C(c2cc(N)c(O)c(C(F)(F)C(F)(F)F)c2)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)C(F)(F)F)c1O.
What is the InChIKey of 2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The InChIKey is GCPBXBPTVLXELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F16N2O2/c20-14(21,18(30,31)32)7-1-5(3-9(36)11(7)38)13(16(24,25)26,17(27,28)29)6-2-8(12(39)10(37)4-6)15(22,23)19(33,34)35/h1-4,38-39H,36-37H2.
What are the key properties of 2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol?
2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol has a molecular weight of 602.27 g/mol, XLogP of 6.98, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol is sourced from PubChem (CID 18465612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).