1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol

C15H12F4O — CID 115527686

IUPAC1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1F)c1cccc(C(F)F)c1
InChIInChI=1S/C15H12F4O/c16-12-4-5-13(17)11(7-12)8-14(20)9-2-1-3-10(6-9)15(18)19/h1-7,14-15,20H,8H2
InChIKeyZQLWJOCBBNLSHP-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.18
Rot. Bonds4

About 1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol

1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol (PubChem CID 115527686) has the molecular formula C15H12F4O and a molecular weight of 284.25 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol
PubChem CID115527686
Molecular FormulaC15H12F4O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1F)c1cccc(C(F)F)c1
InChIInChI=1S/C15H12F4O/c16-12-4-5-13(17)11(7-12)8-14(20)9-2-1-3-10(6-9)15(18)19/h1-7,14-15,20H,8H2
InChIKeyZQLWJOCBBNLSHP-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-1-naphthalen-2-ylethanol
CID 62716910
2-(4-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527782
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931
1-[3-(difluoromethyl)phenyl]-2-phenylethanol
CID 115527640
1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 63893268
2-(2,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 63083872
1-(2,5-difluorophenyl)-3-phenylbutan-2-ol
CID 63901819
2-(2,5-difluorophenyl)-1-naphthalen-1-ylethanol
CID 62716051
1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 114982155
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol
CID 114982000
2-(2,5-difluorophenyl)-1-pyridazin-4-ylethanol
CID 105081030

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol (CID 115527686) is 1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol is OC(Cc1cc(F)ccc1F)c1cccc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol?
The InChIKey is ZQLWJOCBBNLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O/c16-12-4-5-13(17)11(7-12)8-14(20)9-2-1-3-10(6-9)15(18)19/h1-7,14-15,20H,8H2.
What are the key properties of 1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol?
1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol has a molecular weight of 284.25 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 115527686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).