(6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone

C16H13BrClF2NO — CID 126602255

IUPAC(6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(Cl)c(Br)ccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H13BrClF2NO/c17-13-4-2-10-9-11(1-3-12(10)14(13)18)15(22)21-7-5-16(19,20)6-8-21/h1-4,9H,5-8H2
InChIKeyCMWVWCDBMGNPTB-UHFFFAOYSA-N
MW388.64 g/mol
LogP5.13
Rot. Bonds1

About (6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone

(6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 126602255) has the molecular formula C16H13BrClF2NO and a molecular weight of 388.64 g/mol. Its IUPAC name is (6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID126602255
Molecular FormulaC16H13BrClF2NO
Molecular Weight388.64 g/mol
Exact Mass386.98
IUPAC Name(6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(Cl)c(Br)ccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H13BrClF2NO/c17-13-4-2-10-9-11(1-3-12(10)14(13)18)15(22)21-7-5-16(19,20)6-8-21/h1-4,9H,5-8H2
InChIKeyCMWVWCDBMGNPTB-UHFFFAOYSA-N
XLogP5.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of (6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone (CID 126602255) is (6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for (6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for (6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone is O=C(c1ccc2c(Cl)c(Br)ccc2c1)N1CCC(F)(F)CC1.
What is the InChIKey of (6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is CMWVWCDBMGNPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClF2NO/c17-13-4-2-10-9-11(1-3-12(10)14(13)18)15(22)21-7-5-16(19,20)6-8-21/h1-4,9H,5-8H2.
What are the key properties of (6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone?
(6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 388.64 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 126602255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).