1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one

C14H22BrNO2 — CID 79062307

IUPAC1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)c1occc1Br
InChIInChI=1S/C14H22BrNO2/c1-5-14(6-2,16(7-3)8-4)13(17)12-11(15)9-10-18-12/h9-10H,5-8H2,1-4H3
InChIKeyHRIBXUQGBHTJDB-UHFFFAOYSA-N
MW316.24 g/mol
LogP4.13
Rot. Bonds7

About 1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one

1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one (PubChem CID 79062307) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one
PubChem CID79062307
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)c1occc1Br
InChIInChI=1S/C14H22BrNO2/c1-5-14(6-2,16(7-3)8-4)13(17)12-11(15)9-10-18-12/h9-10H,5-8H2,1-4H3
InChIKeyHRIBXUQGBHTJDB-UHFFFAOYSA-N
XLogP4.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-2-ethyl-2-phenylbutan-1-one
CID 63941452
3-bromofuran-2-carbonyl bromide
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1-(3-bromofuran-2-yl)butan-1-one
CID 63941447
1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 79062686
1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79056102
(3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone
CID 79070400
1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759970
2-(3-bromofuran-2-yl)-2-oxoacetic acid
CID 130951949
2-(diethylamino)-2-ethyl-1-(2,3,4-trifluorophenyl)butan-1-one
CID 79059380
1-(3-bromofuran-2-yl)-3-propoxypropan-1-one
CID 105101655
(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 114973336
(3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 114973321

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one (CID 79062307) is 1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one is CCN(CC)C(CC)(CC)C(=O)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one?
The InChIKey is HRIBXUQGBHTJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-5-14(6-2,16(7-3)8-4)13(17)12-11(15)9-10-18-12/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one?
1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one has a molecular weight of 316.24 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one is sourced from PubChem (CID 79062307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).