2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

C16H10F8O — CID 162511318

IUPAC2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(c1ccccc1)(c1ccc(C(F)(F)F)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H10F8O/c17-14(18,19)12-8-6-11(7-9-12)13(25,10-4-2-1-3-5-10)15(20,21)16(22,23)24/h1-9,25H
InChIKeyRPGYHNUBFRUSTM-UHFFFAOYSA-N
MW370.24 g/mol
LogP5.14
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 162511318) has the molecular formula C16H10F8O and a molecular weight of 370.24 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID162511318
Molecular FormulaC16H10F8O
Molecular Weight370.24 g/mol
Exact Mass370.06
IUPAC Name2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(c1ccccc1)(c1ccc(C(F)(F)F)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H10F8O/c17-14(18,19)12-8-6-11(7-9-12)13(25,10-4-2-1-3-5-10)15(20,21)16(22,23)24/h1-9,25H
InChIKeyRPGYHNUBFRUSTM-UHFFFAOYSA-N
XLogP5.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.14
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

diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
2,2,3,3,3-pentafluoro-1-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 162511487
phosphane;trifluoromethylbenzene
CID 175486194
trifluoromethylbenzene;dihydrochloride
CID 171928889
ethane;bis(trifluoromethylbenzene)
CID 142912000
1,1,1,3,3,4,4,4-octafluoro-2-phenylbutan-2-ol
CID 14401239
2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol
CID 166059803
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
chlorobenzene;trifluoromethylbenzene
CID 159341337
2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511306
2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol
CID 162511631
CID 101352816
CID 101352816

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 162511318) is 2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is OC(c1ccccc1)(c1ccc(C(F)(F)F)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is RPGYHNUBFRUSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F8O/c17-14(18,19)12-8-6-11(7-9-12)13(25,10-4-2-1-3-5-10)15(20,21)16(22,23)24/h1-9,25H.
What are the key properties of 2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 370.24 g/mol, XLogP of 5.14, 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-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 162511318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).