2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide

C9H9ClF3NO3 — CID 106686846

IUPAC2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C9H9ClF3NO3/c10-7-6(1-3-17-7)8(15)14-2-4-16-5-9(11,12)13/h1,3H,2,4-5H2,(H,14,15)
InChIKeyZINQPZZBOJIODF-UHFFFAOYSA-N
MW271.62 g/mol
LogP2.24
Rot. Bonds5

About 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide

2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide (PubChem CID 106686846) has the molecular formula C9H9ClF3NO3 and a molecular weight of 271.62 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide
PubChem CID106686846
Molecular FormulaC9H9ClF3NO3
Molecular Weight271.62 g/mol
Exact Mass271.02
IUPAC Name2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C9H9ClF3NO3/c10-7-6(1-3-17-7)8(15)14-2-4-16-5-9(11,12)13/h1,3H,2,4-5H2,(H,14,15)
InChIKeyZINQPZZBOJIODF-UHFFFAOYSA-N
XLogP2.24
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.62
LogP ≤ 52.24
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 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide (CID 106686846) is 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide is O=C(NCCOCC(F)(F)F)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide?
The InChIKey is ZINQPZZBOJIODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO3/c10-7-6(1-3-17-7)8(15)14-2-4-16-5-9(11,12)13/h1,3H,2,4-5H2,(H,14,15).
What are the key properties of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide?
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide has a molecular weight of 271.62 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide is sourced from PubChem (CID 106686846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).