5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid

C9H10F3NO3 — CID 62206380

IUPAC5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid
SMILESCCN(CC(F)(F)F)c1ccc(C(=O)O)o1
InChIInChI=1S/C9H10F3NO3/c1-2-13(5-9(10,11)12)7-4-3-6(16-7)8(14)15/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyLSHIHLNMETWOSM-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.37
Rot. Bonds4

About 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid

5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid (PubChem CID 62206380) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid
PubChem CID62206380
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid
SMILESCCN(CC(F)(F)F)c1ccc(C(=O)O)o1
InChIInChI=1S/C9H10F3NO3/c1-2-13(5-9(10,11)12)7-4-3-6(16-7)8(14)15/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyLSHIHLNMETWOSM-UHFFFAOYSA-N
XLogP2.37
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid (CID 62206380) is 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid is CCN(CC(F)(F)F)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid?
The InChIKey is LSHIHLNMETWOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-2-13(5-9(10,11)12)7-4-3-6(16-7)8(14)15/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid?
5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid has a molecular weight of 237.18 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 62206380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).