(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid

C15H14F4N2O4 — CID 10522635

IUPAC(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)n1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O
InChIInChI=1S/C15H14F4N2O4/c1-9(12(22)23)20-6-7-21(14(20)24)10-2-4-11(5-3-10)25-8-15(18,19)13(16)17/h2-7,9,13H,8H2,1H3,(H,22,23)/t9-/m1/s1
InChIKeyTZNNTWNMVCQSKO-SECBINFHSA-N
MW362.28 g/mol
LogP2.56
Rot. Bonds7

About (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid

(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid (PubChem CID 10522635) has the molecular formula C15H14F4N2O4 and a molecular weight of 362.28 g/mol. Its IUPAC name is (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid
PubChem CID10522635
Molecular FormulaC15H14F4N2O4
Molecular Weight362.28 g/mol
Exact Mass362.09
IUPAC Name(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)n1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O
InChIInChI=1S/C15H14F4N2O4/c1-9(12(22)23)20-6-7-21(14(20)24)10-2-4-11(5-3-10)25-8-15(18,19)13(16)17/h2-7,9,13H,8H2,1H3,(H,22,23)/t9-/m1/s1
InChIKeyTZNNTWNMVCQSKO-SECBINFHSA-N
XLogP2.56
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid (CID 10522635) is (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid is C[C@H](C(=O)O)n1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O.
What is the InChIKey of (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid?
The InChIKey is TZNNTWNMVCQSKO-SECBINFHSA-N. The full InChI is InChI=1S/C15H14F4N2O4/c1-9(12(22)23)20-6-7-21(14(20)24)10-2-4-11(5-3-10)25-8-15(18,19)13(16)17/h2-7,9,13H,8H2,1H3,(H,22,23)/t9-/m1/s1.
What are the key properties of (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid?
(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid has a molecular weight of 362.28 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoic acid is sourced from PubChem (CID 10522635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).