5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid

C13H10F3NO3 — CID 66477754

IUPAC5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid
SMILESCc1ccc(C(F)(F)F)cc1Nc1ccc(C(=O)O)o1
InChIInChI=1S/C13H10F3NO3/c1-7-2-3-8(13(14,15)16)6-9(7)17-11-5-4-10(20-11)12(18)19/h2-6,17H,1H3,(H,18,19)
InChIKeyMIABOEOCRVSMCU-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.05
Rot. Bonds3

About 5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid

5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid (PubChem CID 66477754) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid
PubChem CID66477754
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid
SMILESCc1ccc(C(F)(F)F)cc1Nc1ccc(C(=O)O)o1
InChIInChI=1S/C13H10F3NO3/c1-7-2-3-8(13(14,15)16)6-9(7)17-11-5-4-10(20-11)12(18)19/h2-6,17H,1H3,(H,18,19)
InChIKeyMIABOEOCRVSMCU-UHFFFAOYSA-N
XLogP4.05
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 145293615
3-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062753
4-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80568831
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
N-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549834
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
5-[[2-chloro-5-(trifluoromethyl)anilino]methyl]furan-2-carboxylic acid
CID 63316809
5-(4-bromo-3-methylanilino)furan-2-carboxylic acid
CID 62206003
5-(5-bromo-2-fluoroanilino)furan-2-carboxylic acid
CID 55049844
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112696057
5-(2,4-dichloroanilino)furan-2-carboxylic acid
CID 62204584

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid?
The IUPAC name of 5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid (CID 66477754) is 5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid is Cc1ccc(C(F)(F)F)cc1Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid?
The InChIKey is MIABOEOCRVSMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-7-2-3-8(13(14,15)16)6-9(7)17-11-5-4-10(20-11)12(18)19/h2-6,17H,1H3,(H,18,19).
What are the key properties of 5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid?
5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid has a molecular weight of 285.22 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid is sourced from PubChem (CID 66477754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).