cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline

C18H26FNO — CID 118342640

IUPACcyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline
SMILESCCc1ccc(NC2CCCC2)cc1F.O=C1CCCC1
InChIInChI=1S/C13H18FN.C5H8O/c1-2-10-7-8-12(9-13(10)14)15-11-5-3-4-6-11;6-5-3-1-2-4-5/h7-9,11,15H,2-6H2,1H3;1-4H2
InChIKeyYRXPTFJHQAPXAA-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.87
Rot. Bonds3

About cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline

cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline (PubChem CID 118342640) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline.

Molecular Properties

Compound Namecyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline
PubChem CID118342640
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Namecyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline
SMILESCCc1ccc(NC2CCCC2)cc1F.O=C1CCCC1
InChIInChI=1S/C13H18FN.C5H8O/c1-2-10-7-8-12(9-13(10)14)15-11-5-3-4-6-11;6-5-3-1-2-4-5/h7-9,11,15H,2-6H2,1H3;1-4H2
InChIKeyYRXPTFJHQAPXAA-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline?
The IUPAC name of cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline (CID 118342640) is cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline.
What is the SMILES notation for cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline?
The canonical SMILES for cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline is CCc1ccc(NC2CCCC2)cc1F.O=C1CCCC1.
What is the InChIKey of cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline?
The InChIKey is YRXPTFJHQAPXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN.C5H8O/c1-2-10-7-8-12(9-13(10)14)15-11-5-3-4-6-11;6-5-3-1-2-4-5/h7-9,11,15H,2-6H2,1H3;1-4H2.
What are the key properties of cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline?
cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline has a molecular weight of 291.41 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline is sourced from PubChem (CID 118342640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).