(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone

C15H6Cl2F2O2 — CID 115810891

IUPAC(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H6Cl2F2O2/c16-9-3-1-2-7-4-13(21-15(7)9)14(20)8-5-12(19)10(17)6-11(8)18/h1-6H
InChIKeyMKJVPBJDMXRUEL-UHFFFAOYSA-N
MW327.11 g/mol
LogP5.25
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone

(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone (PubChem CID 115810891) has the molecular formula C15H6Cl2F2O2 and a molecular weight of 327.11 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
PubChem CID115810891
Molecular FormulaC15H6Cl2F2O2
Molecular Weight327.11 g/mol
Exact Mass325.97
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H6Cl2F2O2/c16-9-3-1-2-7-4-13(21-15(7)9)14(20)8-5-12(19)10(17)6-11(8)18/h1-6H
InChIKeyMKJVPBJDMXRUEL-UHFFFAOYSA-N
XLogP5.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.11
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(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
(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726090
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
CID 115810736
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone (CID 115810891) is (7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone is O=C(c1cc2cccc(Cl)c2o1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone?
The InChIKey is MKJVPBJDMXRUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl2F2O2/c16-9-3-1-2-7-4-13(21-15(7)9)14(20)8-5-12(19)10(17)6-11(8)18/h1-6H.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone?
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone has a molecular weight of 327.11 g/mol, XLogP of 5.25, 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)-(4-chloro-2,5-difluorophenyl)methanone is sourced from PubChem (CID 115810891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).