9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide

C17H14F3NO4 — CID 59492921

IUPAC9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESNC(=O)c1cc(OCCO)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C17H14F3NO4/c18-17(19,20)16(24)12-4-2-1-3-10(12)14-11(15(21)23)7-9(8-13(14)16)25-6-5-22/h1-4,7-8,22,24H,5-6H2,(H2,21,23)
InChIKeyJHZGNUBOYPNOQF-UHFFFAOYSA-N
MW353.30 g/mol
LogP1.94
Rot. Bonds4

About 9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide

9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide (PubChem CID 59492921) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is 9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide.

Molecular Properties

Compound Name9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide
PubChem CID59492921
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESNC(=O)c1cc(OCCO)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C17H14F3NO4/c18-17(19,20)16(24)12-4-2-1-3-10(12)14-11(15(21)23)7-9(8-13(14)16)25-6-5-22/h1-4,7-8,22,24H,5-6H2,(H2,21,23)
InChIKeyJHZGNUBOYPNOQF-UHFFFAOYSA-N
XLogP1.94
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide?
The IUPAC name of 9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide (CID 59492921) is 9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide.
What is the SMILES notation for 9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide?
The canonical SMILES for 9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide is NC(=O)c1cc(OCCO)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide?
The InChIKey is JHZGNUBOYPNOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c18-17(19,20)16(24)12-4-2-1-3-10(12)14-11(15(21)23)7-9(8-13(14)16)25-6-5-22/h1-4,7-8,22,24H,5-6H2,(H2,21,23).
What are the key properties of 9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide?
9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide is sourced from PubChem (CID 59492921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).