2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid

C11H13F3N2O4 — CID 61205699

IUPAC2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)N(C)CC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C11H13F3N2O4/c1-6-8(9(17)18)3-7(20-6)4-15-10(19)16(2)5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyIRMMGGURUZGGJP-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 61205699) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid
PubChem CID61205699
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)N(C)CC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C11H13F3N2O4/c1-6-8(9(17)18)3-7(20-6)4-15-10(19)16(2)5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyIRMMGGURUZGGJP-UHFFFAOYSA-N
XLogP1.99
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid (CID 61205699) is 2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)N(C)CC(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is IRMMGGURUZGGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-6-8(9(17)18)3-7(20-6)4-15-10(19)16(2)5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 294.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61205699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).