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

C16H13F3O2 — CID 59493087

IUPAC3-ethoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCOc1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H13F3O2/c1-2-21-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14,20)16(17,18)19/h3-9,20H,2H2,1H3
InChIKeyKOCXTYDAGUATOD-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.86
Rot. Bonds2

About 3-ethoxy-9-(trifluoromethyl)fluoren-9-ol

3-ethoxy-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493087) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 3-ethoxy-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name3-ethoxy-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493087
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name3-ethoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCOc1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H13F3O2/c1-2-21-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14,20)16(17,18)19/h3-9,20H,2H2,1H3
InChIKeyKOCXTYDAGUATOD-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

(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
(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
2-[3-(Dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
CID 59492528
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492583
5-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoic acid
CID 59492626
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669
4-Chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492741
Ethyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoate
CID 59492815

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 3-ethoxy-9-(trifluoromethyl)fluoren-9-ol (CID 59493087) is 3-ethoxy-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 3-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 3-ethoxy-9-(trifluoromethyl)fluoren-9-ol is CCOc1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 3-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is KOCXTYDAGUATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-2-21-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14,20)16(17,18)19/h3-9,20H,2H2,1H3.
What are the key properties of 3-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
3-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 3-ethoxy-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).