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

C10H12F3NO3 — CID 86929027

IUPACN-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)c1ccoc1
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)7-17-4-1-3-14-9(15)8-2-5-16-6-8/h2,5-6H,1,3-4,7H2,(H,14,15)
InChIKeySNSAMVPXJYXAME-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.98
Rot. Bonds6

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

N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide (PubChem CID 86929027) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide
PubChem CID86929027
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)c1ccoc1
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)7-17-4-1-3-14-9(15)8-2-5-16-6-8/h2,5-6H,1,3-4,7H2,(H,14,15)
InChIKeySNSAMVPXJYXAME-UHFFFAOYSA-N
XLogP1.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.98
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 N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide (CID 86929027) is N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide is O=C(NCCCOCC(F)(F)F)c1ccoc1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide?
The InChIKey is SNSAMVPXJYXAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c11-10(12,13)7-17-4-1-3-14-9(15)8-2-5-16-6-8/h2,5-6H,1,3-4,7H2,(H,14,15).
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide?
N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide has a molecular weight of 251.20 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)propyl]furan-3-carboxamide is sourced from PubChem (CID 86929027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).