2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol

C18H15F9N2O — CID 58049598

IUPAC2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(C(c2ccc(N)cc2)(C(F)(F)F)C(F)(F)F)ccc1N)C(F)(F)F
InChIInChI=1S/C18H15F9N2O/c1-14(30,16(19,20)21)12-8-10(4-7-13(12)29)15(17(22,23)24,18(25,26)27)9-2-5-11(28)6-3-9/h2-8,30H,28-29H2,1H3
InChIKeyUCKNFXGGLIOCGX-UHFFFAOYSA-N
MW446.31 g/mol
LogP5.03
Rot. Bonds3

About 2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol

2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 58049598) has the molecular formula C18H15F9N2O and a molecular weight of 446.31 g/mol. Its IUPAC name is 2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID58049598
Molecular FormulaC18H15F9N2O
Molecular Weight446.31 g/mol
Exact Mass446.10
IUPAC Name2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(C(c2ccc(N)cc2)(C(F)(F)F)C(F)(F)F)ccc1N)C(F)(F)F
InChIInChI=1S/C18H15F9N2O/c1-14(30,16(19,20)21)12-8-10(4-7-13(12)29)15(17(22,23)24,18(25,26)27)9-2-5-11(28)6-3-9/h2-8,30H,28-29H2,1H3
InChIKeyUCKNFXGGLIOCGX-UHFFFAOYSA-N
XLogP5.03
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.31
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol 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-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
1-(2-Aminophenyl)-1,2-diphenylethanol
CID 2803358
2-(2-Aminophenyl)propan-2-ol
CID 253527
(2-Aminophenyl)(diphenyl)methanol
CID 2749076
2-(4-Amino-3,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 1275346
(2-Aminophenyl)[bis(4-methylphenyl)]methanol
CID 2975188
(2-Amino-5-methylphenyl)(phenyl)methanol
CID 2861941
2-[2-Amino-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 337226
2-(2-Amino-5-fluorophenyl)propan-2-ol
CID 248674
2-(4-Amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58543596
2-(4-Amino-3'-chloro-4'-fluoro-[1,1'-biphenyl]-3-yl)propan-2-ol
CID 135799862

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol (CID 58049598) is 2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1cc(C(c2ccc(N)cc2)(C(F)(F)F)C(F)(F)F)ccc1N)C(F)(F)F.
What is the InChIKey of 2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is UCKNFXGGLIOCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F9N2O/c1-14(30,16(19,20)21)12-8-10(4-7-13(12)29)15(17(22,23)24,18(25,26)27)9-2-5-11(28)6-3-9/h2-8,30H,28-29H2,1H3.
What are the key properties of 2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 446.31 g/mol, XLogP of 5.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 58049598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).