2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid

C16H14F4N2O5 — CID 120822574

IUPAC2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1C(=O)O
InChIInChI=1S/C16H14F4N2O5/c1-2-10-9(14(24)25)5-11(27-10)13(23)22-8-3-4-12(21-6-8)26-7-16(19,20)15(17)18/h3-6,15H,2,7H2,1H3,(H,22,23)(H,24,25)
InChIKeyVHEQSWJUMKVMRJ-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.47
Rot. Bonds8

About 2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120822574) has the molecular formula C16H14F4N2O5 and a molecular weight of 390.29 g/mol. Its IUPAC name is 2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid
PubChem CID120822574
Molecular FormulaC16H14F4N2O5
Molecular Weight390.29 g/mol
Exact Mass390.08
IUPAC Name2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1C(=O)O
InChIInChI=1S/C16H14F4N2O5/c1-2-10-9(14(24)25)5-11(27-10)13(23)22-8-3-4-12(21-6-8)26-7-16(19,20)15(17)18/h3-6,15H,2,7H2,1H3,(H,22,23)(H,24,25)
InChIKeyVHEQSWJUMKVMRJ-UHFFFAOYSA-N
XLogP3.47
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821942
(2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide
CID 95322424
2-hydroxy-2-methyl-3-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoylamino]propanoic acid
CID 122079511
4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 136520401
2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977260
2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide
CID 120670168
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822444
2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
CID 120821740
2-nitro-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]cyclopropane-1-carboxamide
CID 56801791
N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
CID 96531382
2-ethyl-5-[[5-fluoro-2-(propan-2-ylamino)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821177
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid (CID 120822574) is 2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is VHEQSWJUMKVMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O5/c1-2-10-9(14(24)25)5-11(27-10)13(23)22-8-3-4-12(21-6-8)26-7-16(19,20)15(17)18/h3-6,15H,2,7H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 390.29 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).