9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide

C16H12F3NO2 — CID 59492613

IUPAC9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide
SMILESCNC(=O)c1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H12F3NO2/c1-20-14(21)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15(13,22)16(17,18)19/h2-8,22H,1H3,(H,20,21)
InChIKeyJFXBJNVBUDUOQK-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.82
Rot. Bonds1

About 9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide

9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide (PubChem CID 59492613) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide
PubChem CID59492613
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide
SMILESCNC(=O)c1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C16H12F3NO2/c1-20-14(21)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15(13,22)16(17,18)19/h2-8,22H,1H3,(H,20,21)
InChIKeyJFXBJNVBUDUOQK-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide?
The IUPAC name of 9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide (CID 59492613) is 9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide.
What is the SMILES notation for 9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide?
The canonical SMILES for 9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide is CNC(=O)c1ccc2c(c1)-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide?
The InChIKey is JFXBJNVBUDUOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c1-20-14(21)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15(13,22)16(17,18)19/h2-8,22H,1H3,(H,20,21).
What are the key properties of 9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide?
9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide has a molecular weight of 307.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide is sourced from PubChem (CID 59492613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).