2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol

C13H12F2O2 — CID 114982000

IUPAC2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(O)Cc2cc(F)ccc2F)co1
InChIInChI=1S/C13H12F2O2/c1-8-4-10(7-17-8)13(16)6-9-5-11(14)2-3-12(9)15/h2-5,7,13,16H,6H2,1H3
InChIKeyMTNZITRORQFLFF-UHFFFAOYSA-N
MW238.23 g/mol
LogP3.14
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol

2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol (PubChem CID 114982000) has the molecular formula C13H12F2O2 and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol
PubChem CID114982000
Molecular FormulaC13H12F2O2
Molecular Weight238.23 g/mol
Exact Mass238.08
IUPAC Name2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(O)Cc2cc(F)ccc2F)co1
InChIInChI=1S/C13H12F2O2/c1-8-4-10(7-17-8)13(16)6-9-5-11(14)2-3-12(9)15/h2-5,7,13,16H,6H2,1H3
InChIKeyMTNZITRORQFLFF-UHFFFAOYSA-N
XLogP3.14
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105081046
1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 114982155
2-(2,5-difluorophenyl)-1-naphthalen-2-ylethanol
CID 62716910
2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 114981981
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 63893268
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 115527686
(2,4-difluorophenyl)-(5-methylfuran-3-yl)methanol
CID 114822277
2-(2,5-difluorophenyl)-1-pyridazin-4-ylethanol
CID 105081030
2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527940
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol (CID 114982000) is 2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol is Cc1cc(C(O)Cc2cc(F)ccc2F)co1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol?
The InChIKey is MTNZITRORQFLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O2/c1-8-4-10(7-17-8)13(16)6-9-5-11(14)2-3-12(9)15/h2-5,7,13,16H,6H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol?
2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol has a molecular weight of 238.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol is sourced from PubChem (CID 114982000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).