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

C17H10F3NO2 — CID 59492532

IUPAC2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESC#Cc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H10F3NO2/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/h1,3-8,23H,(H2,21,22)
InChIKeyUYOFBMVIGMBLBY-UHFFFAOYSA-N
MW317.27 g/mol
LogP2.55
Rot. Bonds1

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

2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide (PubChem CID 59492532) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide.

Molecular Properties

Compound Name2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
PubChem CID59492532
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESC#Cc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H10F3NO2/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/h1,3-8,23H,(H2,21,22)
InChIKeyUYOFBMVIGMBLBY-UHFFFAOYSA-N
XLogP2.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-5-ethyl-9-hydroxy-9-methylfluorene-2-carboxamide;hydrochloride
CID 118706733
Azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
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
9-butyl-N-(diaminomethylidene)-9-hydroxyfluorene-2-carboxamide;hydrochloride
CID 118717212
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492496
2-Ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492498
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492504
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
CID 59492517
2-Chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492566
Azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492575

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The IUPAC name of 2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide (CID 59492532) is 2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide.
What is the SMILES notation for 2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The canonical SMILES for 2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide is C#Cc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The InChIKey is UYOFBMVIGMBLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO2/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/h1,3-8,23H,(H2,21,22).
What are the key properties of 2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide is sourced from PubChem (CID 59492532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).