4-(3-bromophenyl)-3,3-difluoropiperidine

C11H12BrF2N — CID 105426890

IUPAC4-(3-bromophenyl)-3,3-difluoropiperidine
SMILESFC1(F)CNCCC1c1cccc(Br)c1
InChIInChI=1S/C11H12BrF2N/c12-9-3-1-2-8(6-9)10-4-5-15-7-11(10,13)14/h1-3,6,10,15H,4-5,7H2
InChIKeyXPGCOETUADXUGW-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.16
Rot. Bonds1

About 4-(3-bromophenyl)-3,3-difluoropiperidine

4-(3-bromophenyl)-3,3-difluoropiperidine (PubChem CID 105426890) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3,3-difluoropiperidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3,3-difluoropiperidine
PubChem CID105426890
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name4-(3-bromophenyl)-3,3-difluoropiperidine
SMILESFC1(F)CNCCC1c1cccc(Br)c1
InChIInChI=1S/C11H12BrF2N/c12-9-3-1-2-8(6-9)10-4-5-15-7-11(10,13)14/h1-3,6,10,15H,4-5,7H2
InChIKeyXPGCOETUADXUGW-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,3-difluoropiperidin-4-yl)phenol
CID 105426893
(4R)-3,3-difluoro-4-phenylpiperidine
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1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene
CID 97296884
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
4-(3-bromophenyl)-3-fluoropiperidine
CID 105426889
4-(4-chlorophenyl)-3,3-difluoropiperidine
CID 67962435
2-(3-bromophenyl)-4,4-difluoropyrrolidine
CID 84729618
4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine
CID 115052324
5-(3-bromophenyl)-9,9-dimethyl-3-azaspiro[5.5]undecane
CID 79433285
2-(3-bromophenyl)imidazolidine
CID 57237390
4-(3-bromophenyl)-2,2-dimethylpiperidine
CID 117258218
3-(3-bromophenyl)-4-cyclopropylpiperidine
CID 79432038

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3,3-difluoropiperidine?
The IUPAC name of 4-(3-bromophenyl)-3,3-difluoropiperidine (CID 105426890) is 4-(3-bromophenyl)-3,3-difluoropiperidine.
What is the SMILES notation for 4-(3-bromophenyl)-3,3-difluoropiperidine?
The canonical SMILES for 4-(3-bromophenyl)-3,3-difluoropiperidine is FC1(F)CNCCC1c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3,3-difluoropiperidine?
The InChIKey is XPGCOETUADXUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c12-9-3-1-2-8(6-9)10-4-5-15-7-11(10,13)14/h1-3,6,10,15H,4-5,7H2.
What are the key properties of 4-(3-bromophenyl)-3,3-difluoropiperidine?
4-(3-bromophenyl)-3,3-difluoropiperidine has a molecular weight of 276.12 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3,3-difluoropiperidine is sourced from PubChem (CID 105426890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).