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

C15H7Cl2FO2 — CID 114725319

IUPAC(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)c1cccc(Cl)c1F
InChIInChI=1S/C15H7Cl2FO2/c16-10-5-2-4-9(13(10)18)14(19)12-7-8-3-1-6-11(17)15(8)20-12/h1-7H
InChIKeyOOTHTJVGJLRCFG-UHFFFAOYSA-N
MW309.12 g/mol
LogP5.11
Rot. Bonds2

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

(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone (PubChem CID 114725319) has the molecular formula C15H7Cl2FO2 and a molecular weight of 309.12 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
PubChem CID114725319
Molecular FormulaC15H7Cl2FO2
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)c1cccc(Cl)c1F
InChIInChI=1S/C15H7Cl2FO2/c16-10-5-2-4-9(13(10)18)14(19)12-7-8-3-1-6-11(17)15(8)20-12/h1-7H
InChIKeyOOTHTJVGJLRCFG-UHFFFAOYSA-N
XLogP5.11
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.12
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105133326
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726090
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 107957391
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526
(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114737213
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone (CID 114725319) is (7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone is O=C(c1cc2cccc(Cl)c2o1)c1cccc(Cl)c1F.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone?
The InChIKey is OOTHTJVGJLRCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2FO2/c16-10-5-2-4-9(13(10)18)14(19)12-7-8-3-1-6-11(17)15(8)20-12/h1-7H.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone?
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone has a molecular weight of 309.12 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 114725319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).