N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C18H16F3NO — CID 67598243

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H16F3NO/c1-2-22(11-18(19,20)21)17(23)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,2,11H2,1H3
InChIKeyGVCWGNGQTRWTEJ-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.21
Rot. Bonds3

About N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (PubChem CID 67598243) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
PubChem CID67598243
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H16F3NO/c1-2-22(11-18(19,20)21)17(23)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,2,11H2,1H3
InChIKeyGVCWGNGQTRWTEJ-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (CID 67598243) is N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is CCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The InChIKey is GVCWGNGQTRWTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-2-22(11-18(19,20)21)17(23)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,2,11H2,1H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 67598243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).