(1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol

C18H12F6O2 — CID 91218434

IUPAC(1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol
SMILESO[C@@H](c1cccc2cc3cccc([C@H](O)C(F)(F)F)c3cc12)C(F)(F)F
InChIInChI=1S/C18H12F6O2/c19-17(20,21)15(25)11-5-1-3-9-7-10-4-2-6-12(14(10)8-13(9)11)16(26)18(22,23)24/h1-8,15-16,25-26H/t15-,16-/m0/s1
InChIKeyMKFBIUFEEHHOJD-HOTGVXAUSA-N
MW374.28 g/mol
LogP5.18
Rot. Bonds2

About (1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol

(1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol (PubChem CID 91218434) has the molecular formula C18H12F6O2 and a molecular weight of 374.28 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol
PubChem CID91218434
Molecular FormulaC18H12F6O2
Molecular Weight374.28 g/mol
Exact Mass374.07
IUPAC Name(1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol
SMILESO[C@@H](c1cccc2cc3cccc([C@H](O)C(F)(F)F)c3cc12)C(F)(F)F
InChIInChI=1S/C18H12F6O2/c19-17(20,21)15(25)11-5-1-3-9-7-10-4-2-6-12(14(10)8-13(9)11)16(26)18(22,23)24/h1-8,15-16,25-26H/t15-,16-/m0/s1
InChIKeyMKFBIUFEEHHOJD-HOTGVXAUSA-N
XLogP5.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol 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 (1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol (CID 91218434) is (1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol is O[C@@H](c1cccc2cc3cccc([C@H](O)C(F)(F)F)c3cc12)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol?
The InChIKey is MKFBIUFEEHHOJD-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H12F6O2/c19-17(20,21)15(25)11-5-1-3-9-7-10-4-2-6-12(14(10)8-13(9)11)16(26)18(22,23)24/h1-8,15-16,25-26H/t15-,16-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol?
(1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol has a molecular weight of 374.28 g/mol, XLogP of 5.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol is sourced from PubChem (CID 91218434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).