5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid

C14H11F3O3 — CID 67111138

IUPAC5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid
SMILESCCc1cc(-c2ccc(C(=O)O)o2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3O3/c1-2-8-5-9(7-10(6-8)14(15,16)17)11-3-4-12(20-11)13(18)19/h3-7H,2H2,1H3,(H,18,19)
InChIKeyQPEYGFNUUAEXRG-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.23
Rot. Bonds3

About 5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid

5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid (PubChem CID 67111138) has the molecular formula C14H11F3O3 and a molecular weight of 284.23 g/mol. Its IUPAC name is 5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid
PubChem CID67111138
Molecular FormulaC14H11F3O3
Molecular Weight284.23 g/mol
Exact Mass284.07
IUPAC Name5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid
SMILESCCc1cc(-c2ccc(C(=O)O)o2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3O3/c1-2-8-5-9(7-10(6-8)14(15,16)17)11-3-4-12(20-11)13(18)19/h3-7H,2H2,1H3,(H,18,19)
InChIKeyQPEYGFNUUAEXRG-UHFFFAOYSA-N
XLogP4.23
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carboxylic acid
CID 960607
5-[4-(2-methylbutan-2-yl)phenyl]furan-2-carboxylic acid
CID 66257827
1-[3-ethyl-5-(trifluoromethyl)phenyl]ethanone
CID 146358849
ethyl 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 170872080
4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzoic acid
CID 66939291
5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid
CID 118346708
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
(E)-1-(4-ethylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 6287121
2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 170293712
5-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxylic acid
CID 90399964
ethyl (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoate
CID 87239785
5-[4-butoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]furan-2-carboxylic acid
CID 46879903

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid (CID 67111138) is 5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid is CCc1cc(-c2ccc(C(=O)O)o2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid?
The InChIKey is QPEYGFNUUAEXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O3/c1-2-8-5-9(7-10(6-8)14(15,16)17)11-3-4-12(20-11)13(18)19/h3-7H,2H2,1H3,(H,18,19).
What are the key properties of 5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid?
5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 67111138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).