3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile

C13H7BrFNO2 — CID 43334536

IUPAC3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccc(Br)o1)c1cccc(F)c1
InChIInChI=1S/C13H7BrFNO2/c14-12-5-4-11(18-12)13(17)10(7-16)8-2-1-3-9(15)6-8/h1-6,10H
InChIKeyVRWUSVOPOAXLOK-UHFFFAOYSA-N
MW308.11 g/mol
LogP3.67
Rot. Bonds3

About 3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile

3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile (PubChem CID 43334536) has the molecular formula C13H7BrFNO2 and a molecular weight of 308.11 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile
PubChem CID43334536
Molecular FormulaC13H7BrFNO2
Molecular Weight308.11 g/mol
Exact Mass306.96
IUPAC Name3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccc(Br)o1)c1cccc(F)c1
InChIInChI=1S/C13H7BrFNO2/c14-12-5-4-11(18-12)13(17)10(7-16)8-2-1-3-9(15)6-8/h1-6,10H
InChIKeyVRWUSVOPOAXLOK-UHFFFAOYSA-N
XLogP3.67
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334246
3-(3-bromo-5-chlorophenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 107954485
3-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 65308161
3-(2-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 81453719
3-(2,3-dimethylphenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 43334555
3-(2,3-dichlorophenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 43334550
2-(4-bromophenyl)-3-(5-chlorofuran-2-yl)-3-oxopropanenitrile
CID 106687422
2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile
CID 79802733
3-(5-bromofuran-2-yl)-2-methyl-3-oxopropanenitrile
CID 43157289
3-(3-chlorothiophen-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 80644228
3-(2,5-dichlorothiophen-3-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 107962461
2-(3-fluorophenyl)-3-oxohexanenitrile
CID 43157077

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile?
The IUPAC name of 3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile (CID 43334536) is 3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile?
The canonical SMILES for 3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile is N#CC(C(=O)c1ccc(Br)o1)c1cccc(F)c1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile?
The InChIKey is VRWUSVOPOAXLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFNO2/c14-12-5-4-11(18-12)13(17)10(7-16)8-2-1-3-9(15)6-8/h1-6,10H.
What are the key properties of 3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile?
3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile has a molecular weight of 308.11 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile is sourced from PubChem (CID 43334536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).