(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol

C15H9F3O2 — CID 114723613

IUPAC(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cc(F)ccc2o1)c1cc(F)ccc1F
InChIInChI=1S/C15H9F3O2/c16-9-2-4-13-8(5-9)6-14(20-13)15(19)11-7-10(17)1-3-12(11)18/h1-7,15,19H
InChIKeyHGFSUNMVRDUVGD-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.93
Rot. Bonds2

About (2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol

(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 114723613) has the molecular formula C15H9F3O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
PubChem CID114723613
Molecular FormulaC15H9F3O2
Molecular Weight278.23 g/mol
Exact Mass278.06
IUPAC Name(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cc(F)ccc2o1)c1cc(F)ccc1F
InChIInChI=1S/C15H9F3O2/c16-9-2-4-13-8(5-9)6-14(20-13)15(19)11-7-10(17)1-3-12(11)18/h1-7,15,19H
InChIKeyHGFSUNMVRDUVGD-UHFFFAOYSA-N
XLogP3.93
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723648
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836655
(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723341
(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724197
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
(5-bromothiophen-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129515

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol (CID 114723613) is (2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol is OC(c1cc2cc(F)ccc2o1)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is HGFSUNMVRDUVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O2/c16-9-2-4-13-8(5-9)6-14(20-13)15(19)11-7-10(17)1-3-12(11)18/h1-7,15,19H.
What are the key properties of (2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 278.23 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).