5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid

C11H13F3N2O3 — CID 62968784

IUPAC5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)7-15-3-5-16(6-4-15)9-2-1-8(19-9)10(17)18/h1-2H,3-7H2,(H,17,18)
InChIKeyMTMXHUBFYQBYFV-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.66
Rot. Bonds3

About 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid

5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid (PubChem CID 62968784) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid
PubChem CID62968784
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)7-15-3-5-16(6-4-15)9-2-1-8(19-9)10(17)18/h1-2H,3-7H2,(H,17,18)
InChIKeyMTMXHUBFYQBYFV-UHFFFAOYSA-N
XLogP1.66
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Formylfuran-2-yl)piperidine-4-carboxylic acid
CID 39196876
Methyl 5-[(1-methylpiperidin-4-yl)amino]furan-2-carboxylate
CID 121553201
5-[2,5-Dihydroxy-3-(trifluoromethyl)-2,5-dihydropyrrol-1-yl]furan-2-carboxylic acid
CID 141510413
Methyl 5-(2-oxopyrrolidin-1-yl)furan-2-carboxylate
CID 101198759
5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid
CID 55049896
5-[(4-Fluorophenyl)methyl-methylamino]furan-2-carboxylic acid
CID 55049993
5-[(3-Fluorophenyl)methyl-methylamino]furan-2-carboxylic acid
CID 55050475
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid
CID 55050478
5-[2-(2,2,2-Trifluoroethoxy)ethylamino]furan-2-carboxylic acid
CID 55261471
5-(4-fluoro-N-methylanilino)furan-2-carboxylic acid
CID 62204259
5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid
CID 62204975
5-(3-fluoro-N-methylanilino)furan-2-carboxylic acid
CID 62204976

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid (CID 62968784) is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid is O=C(O)c1ccc(N2CCN(CC(F)(F)F)CC2)o1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid?
The InChIKey is MTMXHUBFYQBYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)7-15-3-5-16(6-4-15)9-2-1-8(19-9)10(17)18/h1-2H,3-7H2,(H,17,18).
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid?
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid has a molecular weight of 278.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]furan-2-carboxylic acid is sourced from PubChem (CID 62968784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).