1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine

C13H16BrF2N — CID 121409691

IUPAC1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine
SMILESFC1(F)CCCN(CCc2ccc(Br)cc2)C1
InChIInChI=1S/C13H16BrF2N/c14-12-4-2-11(3-5-12)6-9-17-8-1-7-13(15,16)10-17/h2-5H,1,6-10H2
InChIKeyDUKUKERHBGAZKH-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.72
Rot. Bonds3

About 1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine

1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine (PubChem CID 121409691) has the molecular formula C13H16BrF2N and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine
PubChem CID121409691
Molecular FormulaC13H16BrF2N
Molecular Weight304.18 g/mol
Exact Mass303.04
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine
SMILESFC1(F)CCCN(CCc2ccc(Br)cc2)C1
InChIInChI=1S/C13H16BrF2N/c14-12-4-2-11(3-5-12)6-9-17-8-1-7-13(15,16)10-17/h2-5H,1,6-10H2
InChIKeyDUKUKERHBGAZKH-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine (CID 121409691) is 1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine is FC1(F)CCCN(CCc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine?
The InChIKey is DUKUKERHBGAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N/c14-12-4-2-11(3-5-12)6-9-17-8-1-7-13(15,16)10-17/h2-5H,1,6-10H2.
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine?
1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine has a molecular weight of 304.18 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-3,3-difluoropiperidine is sourced from PubChem (CID 121409691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).