2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol

C17H13F3O — CID 18185588

IUPAC2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1c2ccccc2cc2ccccc12)C(F)(F)F
InChIInChI=1S/C17H13F3O/c1-16(21,17(18,19)20)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10,21H,1H3
InChIKeyCTEPSNJVZMCGIQ-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.76
Rot. Bonds1

About 2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol

2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol (PubChem CID 18185588) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol
PubChem CID18185588
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1c2ccccc2cc2ccccc12)C(F)(F)F
InChIInChI=1S/C17H13F3O/c1-16(21,17(18,19)20)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10,21H,1H3
InChIKeyCTEPSNJVZMCGIQ-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-yl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol (CID 18185588) is 2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol is CC(O)(c1c2ccccc2cc2ccccc12)C(F)(F)F.
What is the InChIKey of 2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol?
The InChIKey is CTEPSNJVZMCGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c1-16(21,17(18,19)20)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10,21H,1H3.
What are the key properties of 2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol?
2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol has a molecular weight of 290.28 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 18185588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).