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

C28H26F10N2O2 — CID 139946506

IUPAC2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol
SMILESCC(C)(c1cccc(C(C)(C)c2cc(N)c(O)c(C(F)(F)C(F)(F)F)c2)c1)c1cc(N)c(O)c(C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C28H26F10N2O2/c1-23(2,15-9-17(21(41)19(39)11-15)25(29,30)27(33,34)35)13-6-5-7-14(8-13)24(3,4)16-10-18(22(42)20(40)12-16)26(31,32)28(36,37)38/h5-12,41-42H,39-40H2,1-4H3
InChIKeyLEKSUSQGMFCDRY-UHFFFAOYSA-N
MW612.51 g/mol
LogP8.22
Rot. Bonds6

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

2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol (PubChem CID 139946506) has the molecular formula C28H26F10N2O2 and a molecular weight of 612.51 g/mol. Its IUPAC name is 2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol.

Molecular Properties

Compound Name2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol
PubChem CID139946506
Molecular FormulaC28H26F10N2O2
Molecular Weight612.51 g/mol
Exact Mass612.18
IUPAC Name2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol
SMILESCC(C)(c1cccc(C(C)(C)c2cc(N)c(O)c(C(F)(F)C(F)(F)F)c2)c1)c1cc(N)c(O)c(C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C28H26F10N2O2/c1-23(2,15-9-17(21(41)19(39)11-15)25(29,30)27(33,34)35)13-6-5-7-14(8-13)24(3,4)16-10-18(22(42)20(40)12-16)26(31,32)28(36,37)38/h5-12,41-42H,39-40H2,1-4H3
InChIKeyLEKSUSQGMFCDRY-UHFFFAOYSA-N
XLogP8.22
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.51
LogP ≤ 58.22
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-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-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

Related Compounds

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
2-amino-4,6-bis(2-phenylpropan-2-yl)phenol;cyclohexa-2,6-diene-1,2-diamine
CID 145365952
2-amino-4-[1-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,1,2,3,3,3-hexafluoropropan-2-yl]-6-(trifluoromethyl)phenol
CID 87470352
2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol
CID 70521659
4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 126486218
2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol
CID 154087588
2-amino-6-(1,1-difluoroethyl)phenol
CID 84654556
2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol
CID 71427223
2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid;zinc;hydrate
CID 67943288
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
3,5-bis(2-phenylpropan-2-yl)aniline
CID 142144538
2-amino-6-(trifluoromethyl)phenol
CID 22272746

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The IUPAC name of 2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol (CID 139946506) is 2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol.
What is the SMILES notation for 2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The canonical SMILES for 2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol is CC(C)(c1cccc(C(C)(C)c2cc(N)c(O)c(C(F)(F)C(F)(F)F)c2)c1)c1cc(N)c(O)c(C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The InChIKey is LEKSUSQGMFCDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F10N2O2/c1-23(2,15-9-17(21(41)19(39)11-15)25(29,30)27(33,34)35)13-6-5-7-14(8-13)24(3,4)16-10-18(22(42)20(40)12-16)26(31,32)28(36,37)38/h5-12,41-42H,39-40H2,1-4H3.
What are the key properties of 2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol?
2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol has a molecular weight of 612.51 g/mol, XLogP of 8.22, 6 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-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol is sourced from PubChem (CID 139946506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).