3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine

C10H13BrFNS — CID 112565383

IUPAC3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine
SMILESFC(c1sccc1Br)C1CCCNC1
InChIInChI=1S/C10H13BrFNS/c11-8-3-5-14-10(8)9(12)7-2-1-4-13-6-7/h3,5,7,9,13H,1-2,4,6H2
InChIKeyNWZSLCUNXRJVBM-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.52
Rot. Bonds2

About 3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine

3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine (PubChem CID 112565383) has the molecular formula C10H13BrFNS and a molecular weight of 278.19 g/mol. Its IUPAC name is 3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine
PubChem CID112565383
Molecular FormulaC10H13BrFNS
Molecular Weight278.19 g/mol
Exact Mass276.99
IUPAC Name3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine
SMILESFC(c1sccc1Br)C1CCCNC1
InChIInChI=1S/C10H13BrFNS/c11-8-3-5-14-10(8)9(12)7-2-1-4-13-6-7/h3,5,7,9,13H,1-2,4,6H2
InChIKeyNWZSLCUNXRJVBM-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclobutyl(fluoro)methyl]piperidine;hydrochloride
CID 115058477
(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
CID 130055125
(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171211024
3-(3-bromothiophen-2-yl)piperidine
CID 82664967
N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine
CID 116906601
3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
CID 112565434
3-[(3-bromo-2,4-dimethoxyphenyl)-fluoromethyl]piperidine
CID 103524207
3-(2-bromo-1,2,2-trifluoroethyl)piperidine
CID 107140632
3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
CID 80536056
3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine
CID 112565315
3-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine
CID 112565433
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine?
The IUPAC name of 3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine (CID 112565383) is 3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine.
What is the SMILES notation for 3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine?
The canonical SMILES for 3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine is FC(c1sccc1Br)C1CCCNC1.
What is the InChIKey of 3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine?
The InChIKey is NWZSLCUNXRJVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNS/c11-8-3-5-14-10(8)9(12)7-2-1-4-13-6-7/h3,5,7,9,13H,1-2,4,6H2.
What are the key properties of 3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine?
3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine has a molecular weight of 278.19 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine is sourced from PubChem (CID 112565383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).