1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine

C20H21Br2F2NO2 — CID 67261099

IUPAC1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(C(CCOc2ccc(Br)cc2)Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H21Br2F2NO2/c21-15-1-5-17(6-2-15)26-14-9-19(25-12-10-20(23,24)11-13-25)27-18-7-3-16(22)4-8-18/h1-8,19H,9-14H2
InChIKeyJZSWBIZDHXJXON-UHFFFAOYSA-N
MW505.20 g/mol
LogP6.12
Rot. Bonds7

About 1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine

1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine (PubChem CID 67261099) has the molecular formula C20H21Br2F2NO2 and a molecular weight of 505.20 g/mol. Its IUPAC name is 1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine
PubChem CID67261099
Molecular FormulaC20H21Br2F2NO2
Molecular Weight505.20 g/mol
Exact Mass502.99
IUPAC Name1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(C(CCOc2ccc(Br)cc2)Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H21Br2F2NO2/c21-15-1-5-17(6-2-15)26-14-9-19(25-12-10-20(23,24)11-13-25)27-18-7-3-16(22)4-8-18/h1-8,19H,9-14H2
InChIKeyJZSWBIZDHXJXON-UHFFFAOYSA-N
XLogP6.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.20
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine (CID 67261099) is 1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine is FC1(F)CCN(C(CCOc2ccc(Br)cc2)Oc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine?
The InChIKey is JZSWBIZDHXJXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Br2F2NO2/c21-15-1-5-17(6-2-15)26-14-9-19(25-12-10-20(23,24)11-13-25)27-18-7-3-16(22)4-8-18/h1-8,19H,9-14H2.
What are the key properties of 1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine?
1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine has a molecular weight of 505.20 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(4-bromophenoxy)propyl]-4,4-difluoropiperidine is sourced from PubChem (CID 67261099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).