[5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone

C17H10BrFO2 — CID 168527954

IUPAC[5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cc(Br)ccc1-c1ccco1
InChIInChI=1S/C17H10BrFO2/c18-12-5-8-14(16-2-1-9-21-16)15(10-12)17(20)11-3-6-13(19)7-4-11/h1-10H
InChIKeyKCHPMHSXGVBWMH-UHFFFAOYSA-N
MW345.17 g/mol
LogP5.08
Rot. Bonds3

About [5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone

[5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone (PubChem CID 168527954) has the molecular formula C17H10BrFO2 and a molecular weight of 345.17 g/mol. Its IUPAC name is [5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone
PubChem CID168527954
Molecular FormulaC17H10BrFO2
Molecular Weight345.17 g/mol
Exact Mass343.98
IUPAC Name[5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cc(Br)ccc1-c1ccco1
InChIInChI=1S/C17H10BrFO2/c18-12-5-8-14(16-2-1-9-21-16)15(10-12)17(20)11-3-6-13(19)7-4-11/h1-10H
InChIKeyKCHPMHSXGVBWMH-UHFFFAOYSA-N
XLogP5.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.17
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone
CID 168524602
(4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
CID 168527511
4-bromo-2-(4-fluorobenzoyl)benzoic acid
CID 22175464
(4-chlorophenyl)-[2-(furan-2-yl)phenyl]methanone
CID 168524484
(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
[5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite
CID 142226564
5-(2-benzoyl-4-bromophenyl)furan-2-carbaldehyde
CID 169336137
[5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone
CID 175168856
1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105116425
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(2-amino-5-hydroxyphenyl)-(4-fluorophenyl)methanone
CID 105489008
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone (CID 168527954) is [5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1cc(Br)ccc1-c1ccco1.
What is the InChIKey of [5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone?
The InChIKey is KCHPMHSXGVBWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFO2/c18-12-5-8-14(16-2-1-9-21-16)15(10-12)17(20)11-3-6-13(19)7-4-11/h1-10H.
What are the key properties of [5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone?
[5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone has a molecular weight of 345.17 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 168527954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).