2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde

C16H13FO2 — CID 54910085

IUPAC2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
SMILESCC1Cc2cc(-c3ccc(C=O)c(F)c3)ccc2O1
InChIInChI=1S/C16H13FO2/c1-10-6-14-7-11(4-5-16(14)19-10)12-2-3-13(9-18)15(17)8-12/h2-5,7-10H,6H2,1H3
InChIKeyPOPWJSAHMNJUNS-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.63
Rot. Bonds2

About 2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde

2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde (PubChem CID 54910085) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
PubChem CID54910085
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
SMILESCC1Cc2cc(-c3ccc(C=O)c(F)c3)ccc2O1
InChIInChI=1S/C16H13FO2/c1-10-6-14-7-11(4-5-16(14)19-10)12-2-3-13(9-18)15(17)8-12/h2-5,7-10H,6H2,1H3
InChIKeyPOPWJSAHMNJUNS-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde (CID 54910085) is 2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde is CC1Cc2cc(-c3ccc(C=O)c(F)c3)ccc2O1.
What is the InChIKey of 2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
The InChIKey is POPWJSAHMNJUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-10-6-14-7-11(4-5-16(14)19-10)12-2-3-13(9-18)15(17)8-12/h2-5,7-10H,6H2,1H3.
What are the key properties of 2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde has a molecular weight of 256.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde is sourced from PubChem (CID 54910085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).