(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone

C15H6ClF3O2 — CID 114725112

IUPAC(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H6ClF3O2/c16-9-3-1-2-7-6-12(21-15(7)9)14(20)8-4-10(17)13(19)11(18)5-8/h1-6H
InChIKeyFADYSJYSLWEEII-UHFFFAOYSA-N
MW310.66 g/mol
LogP4.73
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone

(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 114725112) has the molecular formula C15H6ClF3O2 and a molecular weight of 310.66 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
PubChem CID114725112
Molecular FormulaC15H6ClF3O2
Molecular Weight310.66 g/mol
Exact Mass310.00
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H6ClF3O2/c16-9-3-1-2-7-6-12(21-15(7)9)14(20)8-4-10(17)13(19)11(18)5-8/h1-6H
InChIKeyFADYSJYSLWEEII-UHFFFAOYSA-N
XLogP4.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105133326
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526
(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726090

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone (CID 114725112) is (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is FADYSJYSLWEEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF3O2/c16-9-3-1-2-7-6-12(21-15(7)9)14(20)8-4-10(17)13(19)11(18)5-8/h1-6H.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone?
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 310.66 g/mol, XLogP of 4.73, 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)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 114725112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).