2-anthracen-9-ylethanol;2,2,2-trifluoroethanol

C18H17F3O2 — CID 87601320

IUPAC2-anthracen-9-ylethanol;2,2,2-trifluoroethanol
SMILESOCC(F)(F)F.OCCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H14O.C2H3F3O/c17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16;3-2(4,5)1-6/h1-8,11,17H,9-10H2;6H,1H2
InChIKeyCWRYIYRLIMSTEV-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.07
Rot. Bonds2

About 2-anthracen-9-ylethanol;2,2,2-trifluoroethanol

2-anthracen-9-ylethanol;2,2,2-trifluoroethanol (PubChem CID 87601320) has the molecular formula C18H17F3O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-anthracen-9-ylethanol;2,2,2-trifluoroethanol.

Molecular Properties

Compound Name2-anthracen-9-ylethanol;2,2,2-trifluoroethanol
PubChem CID87601320
Molecular FormulaC18H17F3O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name2-anthracen-9-ylethanol;2,2,2-trifluoroethanol
SMILESOCC(F)(F)F.OCCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H14O.C2H3F3O/c17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16;3-2(4,5)1-6/h1-8,11,17H,9-10H2;6H,1H2
InChIKeyCWRYIYRLIMSTEV-UHFFFAOYSA-N
XLogP4.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-ylethanol;2,2,2-trifluoroethanol?
The IUPAC name of 2-anthracen-9-ylethanol;2,2,2-trifluoroethanol (CID 87601320) is 2-anthracen-9-ylethanol;2,2,2-trifluoroethanol.
What is the SMILES notation for 2-anthracen-9-ylethanol;2,2,2-trifluoroethanol?
The canonical SMILES for 2-anthracen-9-ylethanol;2,2,2-trifluoroethanol is OCC(F)(F)F.OCCc1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-anthracen-9-ylethanol;2,2,2-trifluoroethanol?
The InChIKey is CWRYIYRLIMSTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O.C2H3F3O/c17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16;3-2(4,5)1-6/h1-8,11,17H,9-10H2;6H,1H2.
What are the key properties of 2-anthracen-9-ylethanol;2,2,2-trifluoroethanol?
2-anthracen-9-ylethanol;2,2,2-trifluoroethanol has a molecular weight of 322.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-ylethanol;2,2,2-trifluoroethanol is sourced from PubChem (CID 87601320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).