(5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C13H12BrClF3NO — CID 60655701

IUPAC(5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H12BrClF3NO/c14-9-3-4-11(15)10(6-9)12(20)19-5-1-2-8(7-19)13(16,17)18/h3-4,6,8H,1-2,5,7H2
InChIKeyHTFUWBCWWQOXEF-UHFFFAOYSA-N
MW370.60 g/mol
LogP4.52
Rot. Bonds1

About (5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 60655701) has the molecular formula C13H12BrClF3NO and a molecular weight of 370.60 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID60655701
Molecular FormulaC13H12BrClF3NO
Molecular Weight370.60 g/mol
Exact Mass368.97
IUPAC Name(5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H12BrClF3NO/c14-9-3-4-11(15)10(6-9)12(20)19-5-1-2-8(7-19)13(16,17)18/h3-4,6,8H,1-2,5,7H2
InChIKeyHTFUWBCWWQOXEF-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.60
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 60655701) is (5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cc(Br)ccc1Cl)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is HTFUWBCWWQOXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClF3NO/c14-9-3-4-11(15)10(6-9)12(20)19-5-1-2-8(7-19)13(16,17)18/h3-4,6,8H,1-2,5,7H2.
What are the key properties of (5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 370.60 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 60655701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).