(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone

C12H8BrFO2 — CID 79735004

IUPAC(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)c(Br)c2)o1
InChIInChI=1S/C12H8BrFO2/c1-7-2-5-11(16-7)12(15)8-3-4-10(14)9(13)6-8/h2-6H,1H3
InChIKeyNIWAQPZXUPMTAC-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.72
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone

(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone (PubChem CID 79735004) has the molecular formula C12H8BrFO2 and a molecular weight of 283.10 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone
PubChem CID79735004
Molecular FormulaC12H8BrFO2
Molecular Weight283.10 g/mol
Exact Mass281.97
IUPAC Name(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)c(Br)c2)o1
InChIInChI=1S/C12H8BrFO2/c1-7-2-5-11(16-7)12(15)8-3-4-10(14)9(13)6-8/h2-6H,1H3
InChIKeyNIWAQPZXUPMTAC-UHFFFAOYSA-N
XLogP3.72
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 62915012
(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
CID 43463771
3-bromo-4-fluorobenzoyl bromide
CID 3018761
5-(4-fluoro-3-methylbenzoyl)furan-2-carboxylic acid
CID 106946779
(3-bromo-4-fluorophenyl)-(3-bromo-5-methylthiophen-2-yl)methanone
CID 107949916
(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 102949376
(3-bromo-4-fluorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 63545779
(3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone
CID 107949896
(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 81323383
1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 62914265
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
1-(3-bromo-4-fluorophenyl)-3-(2,5-dimethylfuran-3-yl)propane-1,3-dione
CID 62913901

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone (CID 79735004) is (3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)c2ccc(F)c(Br)c2)o1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone?
The InChIKey is NIWAQPZXUPMTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO2/c1-7-2-5-11(16-7)12(15)8-3-4-10(14)9(13)6-8/h2-6H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone?
(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone has a molecular weight of 283.10 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 79735004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).