N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide

C12H16F3NO3 — CID 891927

IUPACN-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(COCC(F)(F)F)o1
InChIInChI=1S/C12H16F3NO3/c1-11(2,3)16-10(17)9-5-4-8(19-9)6-18-7-12(13,14)15/h4-5H,6-7H2,1-3H3,(H,16,17)
InChIKeyISQGYDHSAWFBJA-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.89
Rot. Bonds4

About N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide

N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide (PubChem CID 891927) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
PubChem CID891927
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC NameN-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(COCC(F)(F)F)o1
InChIInChI=1S/C12H16F3NO3/c1-11(2,3)16-10(17)9-5-4-8(19-9)6-18-7-12(13,14)15/h4-5H,6-7H2,1-3H3,(H,16,17)
InChIKeyISQGYDHSAWFBJA-UHFFFAOYSA-N
XLogP2.89
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide (CID 891927) is N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide is CC(C)(C)NC(=O)c1ccc(COCC(F)(F)F)o1.
What is the InChIKey of N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
The InChIKey is ISQGYDHSAWFBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c1-11(2,3)16-10(17)9-5-4-8(19-9)6-18-7-12(13,14)15/h4-5H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide?
N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide has a molecular weight of 279.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 891927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).