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

C17H14F3NO2 — CID 59492498

IUPAC2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESCCc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H14F3NO2/c1-2-9-7-11(15(21)22)14-10-5-3-4-6-12(10)16(23,13(14)8-9)17(18,19)20/h3-8,23H,2H2,1H3,(H2,21,22)
InChIKeyMZTHUBDZEWPDLF-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.13
Rot. Bonds2

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

2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide (PubChem CID 59492498) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
PubChem CID59492498
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESCCc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H14F3NO2/c1-2-9-7-11(15(21)22)14-10-5-3-4-6-12(10)16(23,13(14)8-9)17(18,19)20/h3-8,23H,2H2,1H3,(H2,21,22)
InChIKeyMZTHUBDZEWPDLF-UHFFFAOYSA-N
XLogP3.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(diaminomethylidene)-9-hydroxy-5-methyl-9H-fluorene-2-carboxamide;hydrochloride
CID 118706281
N-(diaminomethylidene)-5-fluoro-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
CID 118706283
N-(diaminomethylidene)-9-hydroxy-8-methyl-9H-fluorene-2-carboxamide;hydrochloride
CID 118706289
N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
CID 118706733
N-(diaminomethylene)-9-hydroxy-9H-fluorene-2-carboxamide
CID 11277147
N-(diaminomethylidene)-9-hydroxy-9H-fluorene-2-carboxamide;hydrochloride
CID 23151759
Azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
N-(diaminomethylidene)-5-ethyl-9-hydroxy-9H-fluorene-2-carboxamide
CID 118706285
N-(diaminomethylidene)-9-hydroxy-5-(hydroxymethyl)-9H-fluorene-2-carboxamide;hydrochloride
CID 118706291
N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
CID 118706302
N-(diaminomethylidene)-9-hydroxy-5,9-dimethylfluorene-2-carboxamide;hydrochloride
CID 118706731
N-(diaminomethylidene)-9-ethyl-9-hydroxyfluorene-2-carboxamide;hydrochloride
CID 118717210

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The IUPAC name of 2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide (CID 59492498) is 2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide.
What is the SMILES notation for 2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The canonical SMILES for 2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide is CCc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The InChIKey is MZTHUBDZEWPDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-2-9-7-11(15(21)22)14-10-5-3-4-6-12(10)16(23,13(14)8-9)17(18,19)20/h3-8,23H,2H2,1H3,(H2,21,22).
What are the key properties of 2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide is sourced from PubChem (CID 59492498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).