2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid

C14H14F4N2O4 — CID 120977260

IUPAC2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C14H14F4N2O4/c15-13(16)14(17,18)6-24-10-4-1-7(5-19-10)20-11(21)8-2-3-9(8)12(22)23/h1,4-5,8-9,13H,2-3,6H2,(H,20,21)(H,22,23)
InChIKeyBXLSRXWIJMTLNE-UHFFFAOYSA-N
MW350.27 g/mol
LogP2.41
Rot. Bonds7

About 2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977260) has the molecular formula C14H14F4N2O4 and a molecular weight of 350.27 g/mol. Its IUPAC name is 2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977260
Molecular FormulaC14H14F4N2O4
Molecular Weight350.27 g/mol
Exact Mass350.09
IUPAC Name2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C14H14F4N2O4/c15-13(16)14(17,18)6-24-10-4-1-7(5-19-10)20-11(21)8-2-3-9(8)12(22)23/h1,4-5,8-9,13H,2-3,6H2,(H,20,21)(H,22,23)
InChIKeyBXLSRXWIJMTLNE-UHFFFAOYSA-N
XLogP2.41
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]cyclopropane-1-carboxamide
CID 56801791
2-hydroxy-2-methyl-3-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoylamino]propanoic acid
CID 122079511
(3S,5R)-5-methyl-3-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]oxolan-2-one
CID 96531383
(3R,5S)-5-methyl-3-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]oxolan-2-one
CID 96531386
2-amino-2-(4-methylphenyl)-N-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]acetamide
CID 120670168
2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid
CID 120822574
2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120521258
(2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide
CID 95322424
6-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 122113684
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
2-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 110014658
2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid
CID 120519325

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120977260) is 2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1.
What is the InChIKey of 2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is BXLSRXWIJMTLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O4/c15-13(16)14(17,18)6-24-10-4-1-7(5-19-10)20-11(21)8-2-3-9(8)12(22)23/h1,4-5,8-9,13H,2-3,6H2,(H,20,21)(H,22,23).
What are the key properties of 2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 350.27 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).