2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide

C10H11ClF3NO2 — CID 106687088

IUPAC2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C10H11ClF3NO2/c11-8-7(3-6-17-8)9(16)15-5-2-1-4-10(12,13)14/h3,6H,1-2,4-5H2,(H,15,16)
InChIKeyWDDBFZCCHDEUOP-UHFFFAOYSA-N
MW269.65 g/mol
LogP3.40
Rot. Bonds5

About 2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide

2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide (PubChem CID 106687088) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is 2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide
PubChem CID106687088
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC Name2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C10H11ClF3NO2/c11-8-7(3-6-17-8)9(16)15-5-2-1-4-10(12,13)14/h3,6H,1-2,4-5H2,(H,15,16)
InChIKeyWDDBFZCCHDEUOP-UHFFFAOYSA-N
XLogP3.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(5,5,5-trifluoropentyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide (CID 106687088) is 2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide is O=C(NCCCCC(F)(F)F)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide?
The InChIKey is WDDBFZCCHDEUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2/c11-8-7(3-6-17-8)9(16)15-5-2-1-4-10(12,13)14/h3,6H,1-2,4-5H2,(H,15,16).
What are the key properties of 2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide?
2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide has a molecular weight of 269.65 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5,5,5-trifluoropentyl)furan-3-carboxamide is sourced from PubChem (CID 106687088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).