5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide

C10H12F3NO2 — CID 11107302

IUPAC5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C10H12F3NO2/c1-5(2)14-9(15)7-4-6(3)16-8(7)10(11,12)13/h4-5H,1-3H3,(H,14,15)
InChIKeyNSIWWRAKWBGGRS-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.75
Rot. Bonds2

About 5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide

5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 11107302) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID11107302
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C)c(C(F)(F)F)o1
InChIInChI=1S/C10H12F3NO2/c1-5(2)14-9(15)7-4-6(3)16-8(7)10(11,12)13/h4-5H,1-3H3,(H,14,15)
InChIKeyNSIWWRAKWBGGRS-UHFFFAOYSA-N
XLogP2.75
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of 5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide (CID 11107302) is 5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for 5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for 5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide is Cc1cc(C(=O)NC(C)C)c(C(F)(F)F)o1.
What is the InChIKey of 5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is NSIWWRAKWBGGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-5(2)14-9(15)7-4-6(3)16-8(7)10(11,12)13/h4-5H,1-3H3,(H,14,15).
What are the key properties of 5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide?
5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 235.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 11107302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).