(2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol

C19H17F15O4 — CID 54014225

About (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol

(2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol (PubChem CID 54014225) has the molecular formula C19H17F15O4 and a molecular weight of 594.31 g/mol. Its IUPAC name is (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol
• PubChem CID: 54014225
• Molecular Formula: C19H17F15O4
• Molecular Weight: 594.31 g/mol
• Exact Mass: 594.09
• IUPAC Name: (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol
• SMILES: O[C@H](CCCc1ccccc1)COCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C19H17F15O4/c20-13(21,10-36-9-12(35)8-4-7-11-5-2-1-3-6-11)37-18(31,32)19(33,34)38-17(29,30)15(24,25)14(22,23)16(26,27)28/h1-3,5-6,12,35H,4,7-10H2/t12-/m1/s1
• InChIKey: KUMRFDWSJQRYPM-GFCCVEGCSA-N
• XLogP: 6.62
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.31
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol?

The IUPAC name of (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol (CID 54014225) is (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol.

What is the SMILES notation for (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol?

The canonical SMILES for (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol is O[C@H](CCCc1ccccc1)COCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol?

The InChIKey is KUMRFDWSJQRYPM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F15O4/c20-13(21,10-36-9-12(35)8-4-7-11-5-2-1-3-6-11)37-18(31,32)19(33,34)38-17(29,30)15(24,25)14(22,23)16(26,27)28/h1-3,5-6,12,35H,4,7-10H2/t12-/m1/s1.

What are the key properties of (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol?

(2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol has a molecular weight of 594.31 g/mol, XLogP of 6.62, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol is sourced from PubChem (CID 54014225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).