4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine

C10H13BrFNS — CID 112563181

IUPAC4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine
SMILESFC1(Cc2ccc(Br)s2)CCNCC1
InChIInChI=1S/C10H13BrFNS/c11-9-2-1-8(14-9)7-10(12)3-5-13-6-4-10/h1-2,13H,3-7H2
InChIKeyAENMPTDRTNRJNL-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.14
Rot. Bonds2

About 4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine

4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine (PubChem CID 112563181) has the molecular formula C10H13BrFNS and a molecular weight of 278.19 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine
PubChem CID112563181
Molecular FormulaC10H13BrFNS
Molecular Weight278.19 g/mol
Exact Mass276.99
IUPAC Name4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine
SMILESFC1(Cc2ccc(Br)s2)CCNCC1
InChIInChI=1S/C10H13BrFNS/c11-9-2-1-8(14-9)7-10(12)3-5-13-6-4-10/h1-2,13H,3-7H2
InChIKeyAENMPTDRTNRJNL-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine (CID 112563181) is 4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine is FC1(Cc2ccc(Br)s2)CCNCC1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine?
The InChIKey is AENMPTDRTNRJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNS/c11-9-2-1-8(14-9)7-10(12)3-5-13-6-4-10/h1-2,13H,3-7H2.
What are the key properties of 4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine?
4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine has a molecular weight of 278.19 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methyl]-4-fluoropiperidine is sourced from PubChem (CID 112563181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).