1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine

C15H18BrF2N — CID 169410374

IUPAC1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine
SMILESFC1(F)CCCN(C2CCCc3cc(Br)ccc32)C1
InChIInChI=1S/C15H18BrF2N/c16-12-5-6-13-11(9-12)3-1-4-14(13)19-8-2-7-15(17,18)10-19/h5-6,9,14H,1-4,7-8,10H2
InChIKeyXPCOEWDTSSDASD-UHFFFAOYSA-N
MW330.22 g/mol
LogP4.56
Rot. Bonds1

About 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine

1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine (PubChem CID 169410374) has the molecular formula C15H18BrF2N and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine
PubChem CID169410374
Molecular FormulaC15H18BrF2N
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine
SMILESFC1(F)CCCN(C2CCCc3cc(Br)ccc32)C1
InChIInChI=1S/C15H18BrF2N/c16-12-5-6-13-11(9-12)3-1-4-14(13)19-8-2-7-15(17,18)10-19/h5-6,9,14H,1-4,7-8,10H2
InChIKeyXPCOEWDTSSDASD-UHFFFAOYSA-N
XLogP4.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine?
The IUPAC name of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine (CID 169410374) is 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine.
What is the SMILES notation for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine?
The canonical SMILES for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine is FC1(F)CCCN(C2CCCc3cc(Br)ccc32)C1.
What is the InChIKey of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine?
The InChIKey is XPCOEWDTSSDASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF2N/c16-12-5-6-13-11(9-12)3-1-4-14(13)19-8-2-7-15(17,18)10-19/h5-6,9,14H,1-4,7-8,10H2.
What are the key properties of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine?
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine has a molecular weight of 330.22 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3,3-difluoropiperidine is sourced from PubChem (CID 169410374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).