(1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

C15H10FNO — CID 40823010

IUPAC(1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CO[C@@H]2c1ccc(F)cc1
InChIInChI=1S/C15H10FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,9H2/t15-/m1/s1
InChIKeyYXCRMKYHFFMNPT-OAHLLOKOSA-N
MW239.25 g/mol
LogP3.32
Rot. Bonds1

About (1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

(1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile (PubChem CID 40823010) has the molecular formula C15H10FNO and a molecular weight of 239.25 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
PubChem CID40823010
Molecular FormulaC15H10FNO
Molecular Weight239.25 g/mol
Exact Mass239.07
IUPAC Name(1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CO[C@@H]2c1ccc(F)cc1
InChIInChI=1S/C15H10FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,9H2/t15-/m1/s1
InChIKeyYXCRMKYHFFMNPT-OAHLLOKOSA-N
XLogP3.32
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile?
The IUPAC name of (1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile (CID 40823010) is (1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile is N#Cc1ccc2c(c1)CO[C@@H]2c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile?
The InChIKey is YXCRMKYHFFMNPT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H10FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,9H2/t15-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile?
(1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile has a molecular weight of 239.25 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile is sourced from PubChem (CID 40823010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).