N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide

C15H14F3NO3 — CID 892065

IUPACN-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(COCC(F)(F)F)o1
InChIInChI=1S/C15H14F3NO3/c16-15(17,18)10-21-9-12-6-7-13(22-12)14(20)19-8-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,19,20)
InChIKeyDFZVRKZHZXHUFD-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.29
Rot. Bonds6

About N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide

N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide (PubChem CID 892065) has the molecular formula C15H14F3NO3 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
PubChem CID892065
Molecular FormulaC15H14F3NO3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC NameN-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(COCC(F)(F)F)o1
InChIInChI=1S/C15H14F3NO3/c16-15(17,18)10-21-9-12-6-7-13(22-12)14(20)19-8-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,19,20)
InChIKeyDFZVRKZHZXHUFD-UHFFFAOYSA-N
XLogP3.29
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The IUPAC name of N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide (CID 892065) is N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide is O=C(NCc1ccccc1)c1ccc(COCC(F)(F)F)o1.
What is the InChIKey of N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The InChIKey is DFZVRKZHZXHUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3/c16-15(17,18)10-21-9-12-6-7-13(22-12)14(20)19-8-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,19,20).
What are the key properties of N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 892065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).