3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile

C16H9F2NO2 — CID 105403452

IUPAC3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile
SMILESN#Cc1oc2ccccc2c1OCc1cc(F)cc(F)c1
InChIInChI=1S/C16H9F2NO2/c17-11-5-10(6-12(18)7-11)9-20-16-13-3-1-2-4-14(13)21-15(16)8-19/h1-7H,9H2
InChIKeyZCCBQVOIQCIDMB-UHFFFAOYSA-N
MW285.25 g/mol
LogP4.16
Rot. Bonds3

About 3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile

3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile (PubChem CID 105403452) has the molecular formula C16H9F2NO2 and a molecular weight of 285.25 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile
PubChem CID105403452
Molecular FormulaC16H9F2NO2
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile
SMILESN#Cc1oc2ccccc2c1OCc1cc(F)cc(F)c1
InChIInChI=1S/C16H9F2NO2/c17-11-5-10(6-12(18)7-11)9-20-16-13-3-1-2-4-14(13)21-15(16)8-19/h1-7H,9H2
InChIKeyZCCBQVOIQCIDMB-UHFFFAOYSA-N
XLogP4.16
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile?
The IUPAC name of 3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile (CID 105403452) is 3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile?
The canonical SMILES for 3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile is N#Cc1oc2ccccc2c1OCc1cc(F)cc(F)c1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile?
The InChIKey is ZCCBQVOIQCIDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO2/c17-11-5-10(6-12(18)7-11)9-20-16-13-3-1-2-4-14(13)21-15(16)8-19/h1-7H,9H2.
What are the key properties of 3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile?
3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile has a molecular weight of 285.25 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 105403452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).