1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol

C15H12F4O2 — CID 62787438

IUPAC1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCC(O)(c1cccc(F)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F4O2/c1-14(20,10-5-4-6-11(16)9-10)12-7-2-3-8-13(12)21-15(17,18)19/h2-9,20H,1H3
InChIKeyWXQLFJPFRJRPDN-UHFFFAOYSA-N
MW300.25 g/mol
LogP3.98
Rot. Bonds3

About 1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol

1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 62787438) has the molecular formula C15H12F4O2 and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID62787438
Molecular FormulaC15H12F4O2
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCC(O)(c1cccc(F)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F4O2/c1-14(20,10-5-4-6-11(16)9-10)12-7-2-3-8-13(12)21-15(17,18)19/h2-9,20H,1H3
InChIKeyWXQLFJPFRJRPDN-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 115467220
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302790
1-(3-fluorophenyl)-1-quinolin-8-ylethanol
CID 81216618
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 107287061
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82771079
1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene
CID 118334273
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol (CID 62787438) is 1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol is CC(O)(c1cccc(F)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is WXQLFJPFRJRPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O2/c1-14(20,10-5-4-6-11(16)9-10)12-7-2-3-8-13(12)21-15(17,18)19/h2-9,20H,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 300.25 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 62787438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).