2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride

C11H13BrClF2N — CID 115054389

IUPAC2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride
SMILESCl.FC1(F)CCCNC1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrF2N.ClH/c12-9-4-2-8(3-5-9)10-11(13,14)6-1-7-15-10;/h2-5,10,15H,1,6-7H2;1H
InChIKeyUUTCAWYIPPJVHG-UHFFFAOYSA-N
MW312.58 g/mol
LogP3.93
Rot. Bonds1

About 2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride

2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride (PubChem CID 115054389) has the molecular formula C11H13BrClF2N and a molecular weight of 312.58 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride
PubChem CID115054389
Molecular FormulaC11H13BrClF2N
Molecular Weight312.58 g/mol
Exact Mass310.99
IUPAC Name2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride
SMILESCl.FC1(F)CCCNC1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrF2N.ClH/c12-9-4-2-8(3-5-9)10-11(13,14)6-1-7-15-10;/h2-5,10,15H,1,6-7H2;1H
InChIKeyUUTCAWYIPPJVHG-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-3-fluoro-3-methylpiperidine
CID 84730127
4-(3,3-difluoropiperidin-2-yl)pyridine
CID 138111206
2-(2-bromophenyl)-3,3-difluoropiperidine
CID 84730265
3,3-difluoro-2-phenylpyrrolidine;hydrochloride
CID 84724544
3-fluoro-2-(4-methoxyphenyl)-3-methylpiperidine
CID 84725233
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine
CID 83913427
1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane
CID 167467914
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
4,6-diphenyl-7-azaspiro[4.5]decane
CID 139931601
3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride
CID 115039884

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride (CID 115054389) is 2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride is Cl.FC1(F)CCCNC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride?
The InChIKey is UUTCAWYIPPJVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N.ClH/c12-9-4-2-8(3-5-9)10-11(13,14)6-1-7-15-10;/h2-5,10,15H,1,6-7H2;1H.
What are the key properties of 2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride?
2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride has a molecular weight of 312.58 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride is sourced from PubChem (CID 115054389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).