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

C16H12F6O — CID 162511534

IUPAC2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(O)(c2ccccc2F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C16H12F6O/c1-10-5-4-6-11(9-10)14(23,15(18,19)16(20,21)22)12-7-2-3-8-13(12)17/h2-9,23H,1H3
InChIKeyKVODITMXMJRAEW-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.57
Rot. Bonds3

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

2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol (PubChem CID 162511534) has the molecular formula C16H12F6O and a molecular weight of 334.26 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol
PubChem CID162511534
Molecular FormulaC16H12F6O
Molecular Weight334.26 g/mol
Exact Mass334.08
IUPAC Name2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(O)(c2ccccc2F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C16H12F6O/c1-10-5-4-6-11(9-10)14(23,15(18,19)16(20,21)22)12-7-2-3-8-13(12)17/h2-9,23H,1H3
InChIKeyKVODITMXMJRAEW-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.57
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-fluorophenyl)propan-1-ol
CID 162511741
2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-nitrophenyl)propan-1-ol
CID 162511620
1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol
CID 18615291
1-(2-bromophenyl)-1-[3-(dimethylamino)phenyl]-2,2,3,3,3-pentafluoropropan-1-ol
CID 162511628
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
1-(3-bromophenyl)-1-[2-(dimethylamino)phenyl]-2,2,3,3,3-pentafluoropropan-1-ol
CID 162511672
1-(2,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62801933
1-(3-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanol
CID 79692201
1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 62789032
1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
CID 114930963
1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
CID 161222024
1-(2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 60793952

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol (CID 162511534) is 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol is Cc1cccc(C(O)(c2ccccc2F)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol?
The InChIKey is KVODITMXMJRAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O/c1-10-5-4-6-11(9-10)14(23,15(18,19)16(20,21)22)12-7-2-3-8-13(12)17/h2-9,23H,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol?
2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-methylphenyl)propan-1-ol has a molecular weight of 334.26 g/mol, XLogP of 4.57, 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-methylphenyl)propan-1-ol is sourced from PubChem (CID 162511534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).