N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

C11H14F3NO2 — CID 10857847

IUPACN,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)oc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-4-15(5-2)10(16)8-6-7(3)17-9(8)11(12,13)14/h6H,4-5H2,1-3H3
InChIKeyNUXLAPGFUUDTFU-UHFFFAOYSA-N
MW249.23 g/mol
LogP3.09
Rot. Bonds3

About N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 10857847) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID10857847
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC NameN,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)oc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-4-15(5-2)10(16)8-6-7(3)17-9(8)11(12,13)14/h6H,4-5H2,1-3H3
InChIKeyNUXLAPGFUUDTFU-UHFFFAOYSA-N
XLogP3.09
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (CID 10857847) is N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is CCN(CC)C(=O)c1cc(C)oc1C(F)(F)F.
What is the InChIKey of N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is NUXLAPGFUUDTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-4-15(5-2)10(16)8-6-7(3)17-9(8)11(12,13)14/h6H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 249.23 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 10857847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).