1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C20H20F3NO — CID 67658274

IUPAC1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCc1cccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H20F3NO/c1-2-3-7-13-8-6-11-15-14-9-4-5-10-16(14)18(17(13)15)19(25)24-12-20(21,22)23/h4-6,8-11,18H,2-3,7,12H2,1H3,(H,24,25)
InChIKeyKEOJYIICXQBEAI-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.82
Rot. Bonds5

About 1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (PubChem CID 67658274) has the molecular formula C20H20F3NO and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
PubChem CID67658274
Molecular FormulaC20H20F3NO
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCc1cccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H20F3NO/c1-2-3-7-13-8-6-11-15-14-9-4-5-10-16(14)18(17(13)15)19(25)24-12-20(21,22)23/h4-6,8-11,18H,2-3,7,12H2,1H3,(H,24,25)
InChIKeyKEOJYIICXQBEAI-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The IUPAC name of 1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (CID 67658274) is 1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for 1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is CCCCc1cccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2.
What is the InChIKey of 1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The InChIKey is KEOJYIICXQBEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO/c1-2-3-7-13-8-6-11-15-14-9-4-5-10-16(14)18(17(13)15)19(25)24-12-20(21,22)23/h4-6,8-11,18H,2-3,7,12H2,1H3,(H,24,25).
What are the key properties of 1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 67658274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).