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

C10H11ClF3NO2 — CID 103839345

IUPAC5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1ccc(Cl)o1
InChIInChI=1S/C10H11ClF3NO2/c11-8-4-3-7(17-8)9(16)15-6-2-1-5-10(12,13)14/h3-4H,1-2,5-6H2,(H,15,16)
InChIKeyCPAPEUWYBVFKLS-UHFFFAOYSA-N
MW269.65 g/mol
LogP3.40
Rot. Bonds5

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

5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide (PubChem CID 103839345) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is 5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
PubChem CID103839345
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC Name5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1ccc(Cl)o1
InChIInChI=1S/C10H11ClF3NO2/c11-8-4-3-7(17-8)9(16)15-6-2-1-5-10(12,13)14/h3-4H,1-2,5-6H2,(H,15,16)
InChIKeyCPAPEUWYBVFKLS-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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Related Compounds

5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867
5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide
CID 113228849
2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839346
5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119508521
5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659012
N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
CID 86986285
5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429
5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514902
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468837
5-chloro-N-[2-(4-methylcyclohexyl)ethyl]furan-2-carboxamide
CID 106686875
5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide
CID 112527770

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide (CID 103839345) is 5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide is O=C(NCCCCC(F)(F)F)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide?
The InChIKey is CPAPEUWYBVFKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2/c11-8-4-3-7(17-8)9(16)15-6-2-1-5-10(12,13)14/h3-4H,1-2,5-6H2,(H,15,16).
What are the key properties of 5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide?
5-chloro-N-(5,5,5-trifluoropentyl)furan-2-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 5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide is sourced from PubChem (CID 103839345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).