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

C14H18BrF2NO — CID 67249619

IUPAC1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(CCCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrF2NO/c15-12-2-4-13(5-3-12)19-11-1-8-18-9-6-14(16,17)7-10-18/h2-5H,1,6-11H2
InChIKeyWSPPZYKZZOAOEY-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.95
Rot. Bonds5

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

1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine (PubChem CID 67249619) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is 1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine
PubChem CID67249619
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(CCCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrF2NO/c15-12-2-4-13(5-3-12)19-11-1-8-18-9-6-14(16,17)7-10-18/h2-5H,1,6-11H2
InChIKeyWSPPZYKZZOAOEY-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine (CID 67249619) is 1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine is FC1(F)CCN(CCCOc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine?
The InChIKey is WSPPZYKZZOAOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c15-12-2-4-13(5-3-12)19-11-1-8-18-9-6-14(16,17)7-10-18/h2-5H,1,6-11H2.
What are the key properties of 1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine?
1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine has a molecular weight of 334.20 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenoxy)propyl]-4,4-difluoropiperidine is sourced from PubChem (CID 67249619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).