2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine

C16H16BrF2NO — CID 67726777

IUPAC2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine
SMILESCON1CCC(F)C(F)C1c1ccc2ccccc2c1Br
InChIInChI=1S/C16H16BrF2NO/c1-21-20-9-8-13(18)15(19)16(20)12-7-6-10-4-2-3-5-11(10)14(12)17/h2-7,13,15-16H,8-9H2,1H3
InChIKeyPIJNKWIGQTYLTE-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.59
Rot. Bonds2

About 2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine

2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine (PubChem CID 67726777) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine
PubChem CID67726777
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine
SMILESCON1CCC(F)C(F)C1c1ccc2ccccc2c1Br
InChIInChI=1S/C16H16BrF2NO/c1-21-20-9-8-13(18)15(19)16(20)12-7-6-10-4-2-3-5-11(10)14(12)17/h2-7,13,15-16H,8-9H2,1H3
InChIKeyPIJNKWIGQTYLTE-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine (CID 67726777) is 2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine is CON1CCC(F)C(F)C1c1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine?
The InChIKey is PIJNKWIGQTYLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-21-20-9-8-13(18)15(19)16(20)12-7-6-10-4-2-3-5-11(10)14(12)17/h2-7,13,15-16H,8-9H2,1H3.
What are the key properties of 2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine?
2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine has a molecular weight of 356.21 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)-3,4-difluoro-1-methoxypiperidine is sourced from PubChem (CID 67726777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).