2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

C14H15FN2O2 — CID 23725422

IUPAC2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)OCCF
InChIInChI=1S/C14H15FN2O2/c1-11(12-5-3-2-4-6-12)17-10-16-9-13(17)14(18)19-8-7-15/h2-6,9-11H,7-8H2,1H3/t11-/m1/s1
InChIKeyJYDPBIIFPAOXMK-LLVKDONJSA-N
MW262.28 g/mol
LogP2.62
Rot. Bonds5

About 2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (PubChem CID 23725422) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
PubChem CID23725422
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)OCCF
InChIInChI=1S/C14H15FN2O2/c1-11(12-5-3-2-4-6-12)17-10-16-9-13(17)14(18)19-8-7-15/h2-6,9-11H,7-8H2,1H3/t11-/m1/s1
InChIKeyJYDPBIIFPAOXMK-LLVKDONJSA-N
XLogP2.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The IUPAC name of 2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (CID 23725422) is 2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.
What is the SMILES notation for 2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The canonical SMILES for 2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is C[C@H](c1ccccc1)n1cncc1C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The InChIKey is JYDPBIIFPAOXMK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-11(12-5-3-2-4-6-12)17-10-16-9-13(17)14(18)19-8-7-15/h2-6,9-11H,7-8H2,1H3/t11-/m1/s1.
What are the key properties of 2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is sourced from PubChem (CID 23725422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).