(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone

C11H13BrFNO2 — CID 163346718

IUPAC(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCCC(CF)C1
InChIInChI=1S/C11H13BrFNO2/c12-10-4-3-9(16-10)11(15)14-5-1-2-8(6-13)7-14/h3-4,8H,1-2,5-7H2
InChIKeySJERKKHCFBPZEG-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.86
Rot. Bonds2

About (5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone

(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone (PubChem CID 163346718) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone
PubChem CID163346718
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCCC(CF)C1
InChIInChI=1S/C11H13BrFNO2/c12-10-4-3-9(16-10)11(15)14-5-1-2-8(6-13)7-14/h3-4,8H,1-2,5-7H2
InChIKeySJERKKHCFBPZEG-UHFFFAOYSA-N
XLogP2.86
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
CID 49008152
(5-bromofuran-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90641539
(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488242
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
(5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone
CID 130531342
(5-bromofuran-2-yl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80678565
(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255794
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 86264212
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
(5-bromofuran-2-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734556
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone (CID 163346718) is (5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCCC(CF)C1.
What is the InChIKey of (5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone?
The InChIKey is SJERKKHCFBPZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c12-10-4-3-9(16-10)11(15)14-5-1-2-8(6-13)7-14/h3-4,8H,1-2,5-7H2.
What are the key properties of (5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone?
(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone has a molecular weight of 290.13 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 163346718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).