2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol

C17H15F3O2 — CID 59493094

IUPAC2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCCc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H15F3O2/c1-2-10-7-11(9-21)15-12-5-3-4-6-13(12)16(22,14(15)8-10)17(18,19)20/h3-8,21-22H,2,9H2,1H3
InChIKeyCJWAZUZDASZOQW-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.52
Rot. Bonds2

About 2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol

2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493094) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493094
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCCc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H15F3O2/c1-2-10-7-11(9-21)15-12-5-3-4-6-13(12)16(22,14(15)8-10)17(18,19)20/h3-8,21-22H,2,9H2,1H3
InChIKeyCJWAZUZDASZOQW-UHFFFAOYSA-N
XLogP3.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol (CID 59493094) is 2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol is CCc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is CJWAZUZDASZOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-2-10-7-11(9-21)15-12-5-3-4-6-13(12)16(22,14(15)8-10)17(18,19)20/h3-8,21-22H,2,9H2,1H3.
What are the key properties of 2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol?
2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 308.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).