2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol

C15H9F7O — CID 162511741

IUPAC2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
SMILESOC(c1cccc(F)c1)(c1ccccc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H9F7O/c16-10-5-3-4-9(8-10)13(23,14(18,19)15(20,21)22)11-6-1-2-7-12(11)17/h1-8,23H
InChIKeySSLABCWOOKUBCS-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.40
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol

2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol (PubChem CID 162511741) has the molecular formula C15H9F7O and a molecular weight of 338.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
PubChem CID162511741
Molecular FormulaC15H9F7O
Molecular Weight338.22 g/mol
Exact Mass338.05
IUPAC Name2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
SMILESOC(c1cccc(F)c1)(c1ccccc1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H9F7O/c16-10-5-3-4-9(8-10)13(23,14(18,19)15(20,21)22)11-6-1-2-7-12(11)17/h1-8,23H
InChIKeySSLABCWOOKUBCS-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol
CID 162511534
2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-nitrophenyl)propan-1-ol
CID 162511620
2,2,3,3,3-pentafluoro-1-(3-fluorophenyl)-1-(3-nitrophenyl)propan-1-ol
CID 162511579
1-(2-bromophenyl)-1-[3-(dimethylamino)phenyl]-2,2,3,3,3-pentafluoropropan-1-ol
CID 162511628
1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
CID 70952663
1-(3,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 55116357
1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787438
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 107287061
2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 162511318
1-(3-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanol
CID 79692201
1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol
CID 173133106

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol (CID 162511741) is 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol is OC(c1cccc(F)c1)(c1ccccc1F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is SSLABCWOOKUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F7O/c16-10-5-3-4-9(8-10)13(23,14(18,19)15(20,21)22)11-6-1-2-7-12(11)17/h1-8,23H.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol?
2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 338.22 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 162511741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).