N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide

C9H10F3NO2 — CID 67358071

IUPACN,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C9H10F3NO2/c1-5-4-6(8(14)13(2)3)7(15-5)9(10,11)12/h4H,1-3H3
InChIKeyQNLRQNGFXZOLDZ-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.31
Rot. Bonds1

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

N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 67358071) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID67358071
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC NameN,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C9H10F3NO2/c1-5-4-6(8(14)13(2)3)7(15-5)9(10,11)12/h4H,1-3H3
InChIKeyQNLRQNGFXZOLDZ-UHFFFAOYSA-N
XLogP2.31
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide (CID 67358071) is N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide is Cc1cc(C(=O)N(C)C)c(C(F)(F)F)o1.
What is the InChIKey of N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is QNLRQNGFXZOLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-5-4-6(8(14)13(2)3)7(15-5)9(10,11)12/h4H,1-3H3.
What are the key properties of N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide?
N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 221.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 67358071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).