(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C15H10ClFO2 — CID 107996809

IUPAC(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1cccc2c1OCC2
InChIInChI=1S/C15H10ClFO2/c16-12-5-4-10(8-13(12)17)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-5,8H,6-7H2
InChIKeyPGZQAMXFZJXMNC-UHFFFAOYSA-N
MW276.69 g/mol
LogP3.64
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 107996809) has the molecular formula C15H10ClFO2 and a molecular weight of 276.69 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID107996809
Molecular FormulaC15H10ClFO2
Molecular Weight276.69 g/mol
Exact Mass276.04
IUPAC Name(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1cccc2c1OCC2
InChIInChI=1S/C15H10ClFO2/c16-12-5-4-10(8-13(12)17)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-5,8H,6-7H2
InChIKeyPGZQAMXFZJXMNC-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 107996770
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114747933
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814281
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114025606
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
CID 105135078
(3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107998411

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 107996809) is (4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is O=C(c1ccc(Cl)c(F)c1)c1cccc2c1OCC2.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is PGZQAMXFZJXMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO2/c16-12-5-4-10(8-13(12)17)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-5,8H,6-7H2.
What are the key properties of (4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 276.69 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 107996809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).