3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine

C16H16FNO — CID 146612041

IUPAC3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine
SMILESCC(C)c1c(-c2ccncc2F)ccc2c1COC2
InChIInChI=1S/C16H16FNO/c1-10(2)16-13(12-5-6-18-7-15(12)17)4-3-11-8-19-9-14(11)16/h3-7,10H,8-9H2,1-2H3
InChIKeyDSCAXVGKQADDDT-UHFFFAOYSA-N
MW257.31 g/mol
LogP4.04
Rot. Bonds2

About 3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine

3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine (PubChem CID 146612041) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine
PubChem CID146612041
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine
SMILESCC(C)c1c(-c2ccncc2F)ccc2c1COC2
InChIInChI=1S/C16H16FNO/c1-10(2)16-13(12-5-6-18-7-15(12)17)4-3-11-8-19-9-14(11)16/h3-7,10H,8-9H2,1-2H3
InChIKeyDSCAXVGKQADDDT-UHFFFAOYSA-N
XLogP4.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine?
The IUPAC name of 3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine (CID 146612041) is 3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine.
What is the SMILES notation for 3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine?
The canonical SMILES for 3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine is CC(C)c1c(-c2ccncc2F)ccc2c1COC2.
What is the InChIKey of 3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine?
The InChIKey is DSCAXVGKQADDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10(2)16-13(12-5-6-18-7-15(12)17)4-3-11-8-19-9-14(11)16/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine?
3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine has a molecular weight of 257.31 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-propan-2-yl-1,3-dihydro-2-benzofuran-5-yl)pyridine is sourced from PubChem (CID 146612041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).