2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine

C10H12BrF2NS — CID 116839192

IUPAC2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine
SMILESFC(F)(c1cc(Br)cs1)C1CCCCN1
InChIInChI=1S/C10H12BrF2NS/c11-7-5-9(15-6-7)10(12,13)8-3-1-2-4-14-8/h5-6,8,14H,1-4H2
InChIKeyGIZRWMVCMFSYAP-UHFFFAOYSA-N
MW296.18 g/mol
LogP3.74
Rot. Bonds2

About 2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine

2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine (PubChem CID 116839192) has the molecular formula C10H12BrF2NS and a molecular weight of 296.18 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine
PubChem CID116839192
Molecular FormulaC10H12BrF2NS
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine
SMILESFC(F)(c1cc(Br)cs1)C1CCCCN1
InChIInChI=1S/C10H12BrF2NS/c11-7-5-9(15-6-7)10(12,13)8-3-1-2-4-14-8/h5-6,8,14H,1-4H2
InChIKeyGIZRWMVCMFSYAP-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene
CID 116841703
2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine
CID 116839210
2-[difluoro(phenyl)methyl]azepane
CID 105483060
2-[(3-bromo-4-methoxyphenyl)-difluoromethyl]piperidine
CID 116839169
2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine
CID 116839188
(2S)-2-(trifluoromethyl)azepane
CID 52810921
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552
2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
CID 116839038
2-[2-(4-bromothiophen-2-yl)ethyl]azepane
CID 107355607
2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine
CID 84730136
azepan-2-yl(diphenyl)methanamine
CID 69019093
2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine
CID 116840275

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine?
The IUPAC name of 2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine (CID 116839192) is 2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine is FC(F)(c1cc(Br)cs1)C1CCCCN1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine?
The InChIKey is GIZRWMVCMFSYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NS/c11-7-5-9(15-6-7)10(12,13)8-3-1-2-4-14-8/h5-6,8,14H,1-4H2.
What are the key properties of 2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine?
2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine has a molecular weight of 296.18 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine is sourced from PubChem (CID 116839192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).