1,2-difluoro-3-(2-fluorophenyl)benzene;methanol

C13H11F3O — CID 70977056

IUPAC1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
SMILESCO.Fc1ccccc1-c1cccc(F)c1F
InChIInChI=1S/C12H7F3.CH4O/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15;1-2/h1-7H;2H,1H3
InChIKeyLORASCDTUYCPPX-UHFFFAOYSA-N
MW240.22 g/mol
LogP3.38
Rot. Bonds1

About 1,2-difluoro-3-(2-fluorophenyl)benzene;methanol

1,2-difluoro-3-(2-fluorophenyl)benzene;methanol (PubChem CID 70977056) has the molecular formula C13H11F3O and a molecular weight of 240.22 g/mol. Its IUPAC name is 1,2-difluoro-3-(2-fluorophenyl)benzene;methanol.

Molecular Properties

Compound Name1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
PubChem CID70977056
Molecular FormulaC13H11F3O
Molecular Weight240.22 g/mol
Exact Mass240.08
IUPAC Name1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
SMILESCO.Fc1ccccc1-c1cccc(F)c1F
InChIInChI=1S/C12H7F3.CH4O/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15;1-2/h1-7H;2H,1H3
InChIKeyLORASCDTUYCPPX-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(2-fluorophenyl)benzene;methanol?
The IUPAC name of 1,2-difluoro-3-(2-fluorophenyl)benzene;methanol (CID 70977056) is 1,2-difluoro-3-(2-fluorophenyl)benzene;methanol.
What is the SMILES notation for 1,2-difluoro-3-(2-fluorophenyl)benzene;methanol?
The canonical SMILES for 1,2-difluoro-3-(2-fluorophenyl)benzene;methanol is CO.Fc1ccccc1-c1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-(2-fluorophenyl)benzene;methanol?
The InChIKey is LORASCDTUYCPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3.CH4O/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15;1-2/h1-7H;2H,1H3.
What are the key properties of 1,2-difluoro-3-(2-fluorophenyl)benzene;methanol?
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol has a molecular weight of 240.22 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(2-fluorophenyl)benzene;methanol is sourced from PubChem (CID 70977056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).