2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine

C11H14BrF2NS — CID 116840275

IUPAC2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine
SMILESFC(F)(CC1CCCCN1)c1ccc(Br)s1
InChIInChI=1S/C11H14BrF2NS/c12-10-5-4-9(16-10)11(13,14)7-8-3-1-2-6-15-8/h4-5,8,15H,1-3,6-7H2
InChIKeyQDZFYBQJMLSBBZ-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.13
Rot. Bonds3

About 2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine

2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine (PubChem CID 116840275) has the molecular formula C11H14BrF2NS and a molecular weight of 310.21 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine
PubChem CID116840275
Molecular FormulaC11H14BrF2NS
Molecular Weight310.21 g/mol
Exact Mass309.00
IUPAC Name2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine
SMILESFC(F)(CC1CCCCN1)c1ccc(Br)s1
InChIInChI=1S/C11H14BrF2NS/c12-10-5-4-9(16-10)11(13,14)7-8-3-1-2-6-15-8/h4-5,8,15H,1-3,6-7H2
InChIKeyQDZFYBQJMLSBBZ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
CID 116840282
1-(5-bromothiophen-2-yl)-2-piperidin-2-ylethanamine
CID 116936244
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209420
2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
CID 115211198
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 116877651
(2R)-2-(5-bromothiophen-2-yl)piperidine
CID 7048175
2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840108
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine
CID 62335092

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine (CID 116840275) is 2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine is FC(F)(CC1CCCCN1)c1ccc(Br)s1.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine?
The InChIKey is QDZFYBQJMLSBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NS/c12-10-5-4-9(16-10)11(13,14)7-8-3-1-2-6-15-8/h4-5,8,15H,1-3,6-7H2.
What are the key properties of 2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine?
2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine has a molecular weight of 310.21 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine is sourced from PubChem (CID 116840275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).