5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran

C15H12ClFO — CID 154714445

IUPAC5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFC(c1ccccc1)C1COc2ccc(Cl)cc21
InChIInChI=1S/C15H12ClFO/c16-11-6-7-14-12(8-11)13(9-18-14)15(17)10-4-2-1-3-5-10/h1-8,13,15H,9H2
InChIKeyQAYZCXYYOUDFKC-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.53
Rot. Bonds2

About 5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran

5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 154714445) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID154714445
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFC(c1ccccc1)C1COc2ccc(Cl)cc21
InChIInChI=1S/C15H12ClFO/c16-11-6-7-14-12(8-11)13(9-18-14)15(17)10-4-2-1-3-5-10/h1-8,13,15H,9H2
InChIKeyQAYZCXYYOUDFKC-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran
CID 126331
Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
5-Chloro-2,3-dihydro-1-benzofuran
CID 592964
(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene
CID 45268974
6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 45268978
6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272388
6-chloro-3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2H-chromene
CID 52942006
6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene
CID 56655958
6-chloro-3-[3-(3-chlorophenyl)propyl]-3,4-dihydro-2H-chromene
CID 137640366
3-[3-(3-chlorophenyl)propyl]-3,4-dihydro-2H-chromene
CID 137654412
6-chloro-2-phenyl-2H-chromene
CID 11402251
5-(4-chlorophenoxy)benzo[c][1,2]oxaborol-1(3H)-ol
CID 44591600

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran (CID 154714445) is 5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran is FC(c1ccccc1)C1COc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is QAYZCXYYOUDFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c16-11-6-7-14-12(8-11)13(9-18-14)15(17)10-4-2-1-3-5-10/h1-8,13,15H,9H2.
What are the key properties of 5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran?
5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 262.71 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 154714445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).