2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol

C18H18F3NO2 — CID 59492905

IUPAC2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol
SMILESCN(C)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H18F3NO2/c1-22(2)9-10-24-12-7-8-14-13-5-3-4-6-15(13)17(23,16(14)11-12)18(19,20)21/h3-8,11,23H,9-10H2,1-2H3
InChIKeyOELBCJNEMQXHRJ-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.41
Rot. Bonds4

About 2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol

2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492905) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492905
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol
SMILESCN(C)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H18F3NO2/c1-22(2)9-10-24-12-7-8-14-13-5-3-4-6-15(13)17(23,16(14)11-12)18(19,20)21/h3-8,11,23H,9-10H2,1-2H3
InChIKeyOELBCJNEMQXHRJ-UHFFFAOYSA-N
XLogP3.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol (CID 59492905) is 2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol is CN(C)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is OELBCJNEMQXHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-22(2)9-10-24-12-7-8-14-13-5-3-4-6-15(13)17(23,16(14)11-12)18(19,20)21/h3-8,11,23H,9-10H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol?
2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 337.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).