N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide

C8H9F3N2O — CID 61119522

IUPACN-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide
SMILESN#CC1(NC(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6(14)13-7(5-12)3-1-2-4-7/h1-4H2,(H,13,14)
InChIKeyHPISQPSIYZOBTD-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.50
Rot. Bonds1

About N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide

N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide (PubChem CID 61119522) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide
PubChem CID61119522
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC NameN-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide
SMILESN#CC1(NC(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6(14)13-7(5-12)3-1-2-4-7/h1-4H2,(H,13,14)
InChIKeyHPISQPSIYZOBTD-UHFFFAOYSA-N
XLogP1.50
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide (CID 61119522) is N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide is N#CC1(NC(=O)C(F)(F)F)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide?
The InChIKey is HPISQPSIYZOBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)6(14)13-7(5-12)3-1-2-4-7/h1-4H2,(H,13,14).
What are the key properties of N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide?
N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide has a molecular weight of 206.17 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 61119522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).