1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine

C12H14BrF2N — CID 117007800

IUPAC1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine
SMILESCc1ccc(N2CCC(F)(F)CC2)c(Br)c1
InChIInChI=1S/C12H14BrF2N/c1-9-2-3-11(10(13)8-9)16-6-4-12(14,15)5-7-16/h2-3,8H,4-7H2,1H3
InChIKeyMLPOXZVWJGYHAI-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.99
Rot. Bonds1

About 1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine

1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine (PubChem CID 117007800) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine
PubChem CID117007800
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine
SMILESCc1ccc(N2CCC(F)(F)CC2)c(Br)c1
InChIInChI=1S/C12H14BrF2N/c1-9-2-3-11(10(13)8-9)16-6-4-12(14,15)5-7-16/h2-3,8H,4-7H2,1H3
InChIKeyMLPOXZVWJGYHAI-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine (CID 117007800) is 1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine is Cc1ccc(N2CCC(F)(F)CC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine?
The InChIKey is MLPOXZVWJGYHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c1-9-2-3-11(10(13)8-9)16-6-4-12(14,15)5-7-16/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine?
1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine has a molecular weight of 290.15 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine is sourced from PubChem (CID 117007800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).