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

C16H13F3O2 — CID 59492985

IUPAC2-ethoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H13F3O2/c1-2-21-10-7-8-12-11-5-3-4-6-13(11)15(20,14(12)9-10)16(17,18)19/h3-9,20H,2H2,1H3
InChIKeyMPMREEQBELEFNW-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.86
Rot. Bonds2

About 2-ethoxy-9-(trifluoromethyl)fluoren-9-ol

2-ethoxy-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492985) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-ethoxy-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-ethoxy-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492985
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2-ethoxy-9-(trifluoromethyl)fluoren-9-ol
SMILESCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H13F3O2/c1-2-21-10-7-8-12-11-5-3-4-6-13(11)15(20,14(12)9-10)16(17,18)19/h3-9,20H,2H2,1H3
InChIKeyMPMREEQBELEFNW-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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-ethoxy-9-(trifluoromethyl)fluoren-9-ol (CID 59492985) is 2-ethoxy-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-ethoxy-9-(trifluoromethyl)fluoren-9-ol is CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is MPMREEQBELEFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-2-21-10-7-8-12-11-5-3-4-6-13(11)15(20,14(12)9-10)16(17,18)19/h3-9,20H,2H2,1H3.
What are the key properties of 2-ethoxy-9-(trifluoromethyl)fluoren-9-ol?
2-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 2-ethoxy-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).