(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone

C15H7Cl2FO2 — CID 107996739

IUPAC(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H7Cl2FO2/c16-10-2-4-13-9(5-10)7-14(20-13)15(19)8-1-3-11(17)12(18)6-8/h1-7H
InChIKeyBHTMWFUXLQGFRC-UHFFFAOYSA-N
MW309.12 g/mol
LogP5.11
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone

(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone (PubChem CID 107996739) has the molecular formula C15H7Cl2FO2 and a molecular weight of 309.12 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone
PubChem CID107996739
Molecular FormulaC15H7Cl2FO2
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H7Cl2FO2/c16-10-2-4-13-9(5-10)7-14(20-13)15(19)8-1-3-11(17)12(18)6-8/h1-7H
InChIKeyBHTMWFUXLQGFRC-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

(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
(5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 114737396
(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754789
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016
(5-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726089
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
CID 17496216
(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114736998
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone (CID 107996739) is (5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone is O=C(c1ccc(Cl)c(F)c1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone?
The InChIKey is BHTMWFUXLQGFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2FO2/c16-10-2-4-13-9(5-10)7-14(20-13)15(19)8-1-3-11(17)12(18)6-8/h1-7H.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone?
(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-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 (5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone is sourced from PubChem (CID 107996739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).