4-ethoxy-9-(trifluoromethyl)fluoren-9-ol

C16H13F3O2 — CID 59492788

IUPAC4-ethoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCOc1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H13F3O2/c1-2-21-13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12,20)16(17,18)19/h3-9,20H,2H2,1H3
InChIKeyRHQYITODTDWFCR-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.86
Rot. Bonds2

About 4-ethoxy-9-(trifluoromethyl)fluoren-9-ol

4-ethoxy-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492788) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 4-ethoxy-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-ethoxy-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492788
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name4-ethoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCOc1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H13F3O2/c1-2-21-13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12,20)16(17,18)19/h3-9,20H,2H2,1H3
InChIKeyRHQYITODTDWFCR-UHFFFAOYSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3aS,4R,9bR)-4-(4-hydroxyphenyl)-2-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 11256602
(2R,4R,6S,7R)-7-(4-hydroxyphenyl)-4-(trifluoromethyl)-8-oxatricyclo[7.4.0.0;{2,6}]trideca-1(9),10,12-trien-12-ol
CID 11314096
Imdatifan
CID 155214362
(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
4-(3-Phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484905
4-Allyl-2-phenethyl-2,3-dihydro-benzofuran-5-ol
CID 15161040
(3E,5E)-6-[3-(3,4-Bis-hydroxymethylbenzyloxy)-phenyl]-1,1,1-trifluoro-2-trifluoromethylocta-3,5-dien-2-ol
CID 59263692
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
3-fluoro-5-(((1R,2S,2aS)-1,2,3,3,4,4-hexafluoro-2a-hydroxy-2,2a,3,4-tetrahydro-1H-cyclopenta[cd]inden-7-yl)oxy)benzonitrile
CID 155232523
(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-6a,9-diol
CID 57403753
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492679
Ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-ethoxy-9-(trifluoromethyl)fluoren-9-ol (CID 59492788) is 4-ethoxy-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-ethoxy-9-(trifluoromethyl)fluoren-9-ol is CCOc1cccc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 4-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is RHQYITODTDWFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-2-21-13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12,20)16(17,18)19/h3-9,20H,2H2,1H3.
What are the key properties of 4-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
4-ethoxy-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 294.27 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).