(2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one

C21H16F6N2O3 — CID 10623733

About (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one

(2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one (PubChem CID 10623733) has the molecular formula C21H16F6N2O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one
• PubChem CID: 10623733
• Molecular Formula: C21H16F6N2O3
• Molecular Weight: 458.36 g/mol
• Exact Mass: 458.11
• IUPAC Name: (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one
• SMILES: C[C@@H](Oc1nccn1-c1ccc(OCC(F)(F)C(F)F)cc1)C(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C21H16F6N2O3/c1-12(18(30)16-7-2-13(22)10-17(16)23)32-20-28-8-9-29(20)14-3-5-15(6-4-14)31-11-21(26,27)19(24)25/h2-10,12,19H,11H2,1H3/t12-/m1/s1
• InChIKey: RNDNWYSTYRGTGW-GFCCVEGCSA-N
• XLogP: 5.08
• TPSA: 53.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.36
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one?

The IUPAC name of (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one (CID 10623733) is (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one.

What is the SMILES notation for (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one?

The canonical SMILES for (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one is C[C@@H](Oc1nccn1-c1ccc(OCC(F)(F)C(F)F)cc1)C(=O)c1ccc(F)cc1F.

What is the InChIKey of (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one?

The InChIKey is RNDNWYSTYRGTGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H16F6N2O3/c1-12(18(30)16-7-2-13(22)10-17(16)23)32-20-28-8-9-29(20)14-3-5-15(6-4-14)31-11-21(26,27)19(24)25/h2-10,12,19H,11H2,1H3/t12-/m1/s1.

What are the key properties of (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one?

(2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one has a molecular weight of 458.36 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(2,4-difluorophenyl)-2-[1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-yl]oxypropan-1-one is sourced from PubChem (CID 10623733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).