3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine

C10H13BrFNS — CID 112562931

IUPAC3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine
SMILESFC1(Cc2ccc(Br)s2)CCCNC1
InChIInChI=1S/C10H13BrFNS/c11-9-3-2-8(14-9)6-10(12)4-1-5-13-7-10/h2-3,13H,1,4-7H2
InChIKeyAATVCURJOWOQSZ-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.14
Rot. Bonds2

About 3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine

3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine (PubChem CID 112562931) has the molecular formula C10H13BrFNS and a molecular weight of 278.19 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine
PubChem CID112562931
Molecular FormulaC10H13BrFNS
Molecular Weight278.19 g/mol
Exact Mass276.99
IUPAC Name3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine
SMILESFC1(Cc2ccc(Br)s2)CCCNC1
InChIInChI=1S/C10H13BrFNS/c11-9-3-2-8(14-9)6-10(12)4-1-5-13-7-10/h2-3,13H,1,4-7H2
InChIKeyAATVCURJOWOQSZ-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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Related Compounds

8-[5-(Piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126037
1-(5-Bromothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561248
(1R,5R)-1-(5-bromothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561252
3-(5-Bromothiophen-2-yl)pyrrolidine;hydrochloride
CID 170910949
3-(4-Bromo-5-methylthiophen-2-yl)pyrrolidine;hydrochloride
CID 177799293
4-[2-(3-Fluorothiophen-2-yl)ethyl]piperidine
CID 22248036
(5-Bromothiophen-2-ylmethyl)-[2-(3-fluorophenyl)-ethyl]-amine
CID 43400730
4,4-Difluoro-3-thiophen-2-ylpiperidine
CID 166519251
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 28441475
N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 28449876
5-Bromo-N-[(4-fluorophenyl)methyl]-2-thiophenemethanamine
CID 28468208
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 28475665

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine (CID 112562931) is 3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine is FC1(Cc2ccc(Br)s2)CCCNC1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine?
The InChIKey is AATVCURJOWOQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNS/c11-9-3-2-8(14-9)6-10(12)4-1-5-13-7-10/h2-3,13H,1,4-7H2.
What are the key properties of 3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine?
3-[(5-bromothiophen-2-yl)methyl]-3-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 3-[(5-bromothiophen-2-yl)methyl]-3-fluoropiperidine is sourced from PubChem (CID 112562931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).