9-(trifluoromethyl)xanthen-9-ol

C14H9F3O2 — CID 46184259

IUPAC9-(trifluoromethyl)xanthen-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H9F3O2/c15-14(16,17)13(18)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)13/h1-8,18H
InChIKeyADIZQADUCGZZRL-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.59
Rot. Bonds

About 9-(trifluoromethyl)xanthen-9-ol

9-(trifluoromethyl)xanthen-9-ol (PubChem CID 46184259) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 9-(trifluoromethyl)xanthen-9-ol.

Molecular Properties

Compound Name9-(trifluoromethyl)xanthen-9-ol
PubChem CID46184259
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name9-(trifluoromethyl)xanthen-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H9F3O2/c15-14(16,17)13(18)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)13/h1-8,18H
InChIKeyADIZQADUCGZZRL-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)xanthen-9-ol?
The IUPAC name of 9-(trifluoromethyl)xanthen-9-ol (CID 46184259) is 9-(trifluoromethyl)xanthen-9-ol.
What is the SMILES notation for 9-(trifluoromethyl)xanthen-9-ol?
The canonical SMILES for 9-(trifluoromethyl)xanthen-9-ol is OC1(C(F)(F)F)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-(trifluoromethyl)xanthen-9-ol?
The InChIKey is ADIZQADUCGZZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-14(16,17)13(18)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)13/h1-8,18H.
What are the key properties of 9-(trifluoromethyl)xanthen-9-ol?
9-(trifluoromethyl)xanthen-9-ol has a molecular weight of 266.22 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)xanthen-9-ol is sourced from PubChem (CID 46184259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).