2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one

C18H9F11O2 — CID 151245335

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ccc(-c2ccccc2)cc1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H9F11O2/c19-14(16(22,23)24,31-18(28,29)15(20,21)17(25,26)27)13(30)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyNREJTBXLCRFURW-UHFFFAOYSA-N
MW466.25 g/mol
LogP6.57
Rot. Bonds6

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one (PubChem CID 151245335) has the molecular formula C18H9F11O2 and a molecular weight of 466.25 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one
PubChem CID151245335
Molecular FormulaC18H9F11O2
Molecular Weight466.25 g/mol
Exact Mass466.04
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ccc(-c2ccccc2)cc1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H9F11O2/c19-14(16(22,23)24,31-18(28,29)15(20,21)17(25,26)27)13(30)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyNREJTBXLCRFURW-UHFFFAOYSA-N
XLogP6.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.25
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one (CID 151245335) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one is O=C(c1ccc(-c2ccccc2)cc1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one?
The InChIKey is NREJTBXLCRFURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F11O2/c19-14(16(22,23)24,31-18(28,29)15(20,21)17(25,26)27)13(30)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one has a molecular weight of 466.25 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 151245335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).