1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide

C11H15F3N2O2 — CID 60730881

IUPAC1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)8-18-6-5-16-9(17)10(7-15)3-1-2-4-10/h1-6,8H2,(H,16,17)
InChIKeyCXDBQDNFYURFHS-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.77
Rot. Bonds5

About 1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide

1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide (PubChem CID 60730881) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
PubChem CID60730881
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)8-18-6-5-16-9(17)10(7-15)3-1-2-4-10/h1-6,8H2,(H,16,17)
InChIKeyCXDBQDNFYURFHS-UHFFFAOYSA-N
XLogP1.77
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide (CID 60730881) is 1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide is N#CC1(C(=O)NCCOCC(F)(F)F)CCCC1.
What is the InChIKey of 1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide?
The InChIKey is CXDBQDNFYURFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)8-18-6-5-16-9(17)10(7-15)3-1-2-4-10/h1-6,8H2,(H,16,17).
What are the key properties of 1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide?
1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 60730881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).