(3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one

C10H8BrF3N2O — CID 134863655

IUPAC(3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one
SMILESO=C1CC[C@@H](c2nc(C(F)(F)F)ncc2Br)C1
InChIInChI=1S/C10H8BrF3N2O/c11-7-4-15-9(10(12,13)14)16-8(7)5-1-2-6(17)3-5/h4-5H,1-3H2/t5-/m1/s1
InChIKeyORAKMCKKWFTLTP-RXMQYKEDSA-N
MW309.09 g/mol
LogP3.09
Rot. Bonds1

About (3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one

(3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one (PubChem CID 134863655) has the molecular formula C10H8BrF3N2O and a molecular weight of 309.09 g/mol. Its IUPAC name is (3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one
PubChem CID134863655
Molecular FormulaC10H8BrF3N2O
Molecular Weight309.09 g/mol
Exact Mass307.98
IUPAC Name(3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one
SMILESO=C1CC[C@@H](c2nc(C(F)(F)F)ncc2Br)C1
InChIInChI=1S/C10H8BrF3N2O/c11-7-4-15-9(10(12,13)14)16-8(7)5-1-2-6(17)3-5/h4-5H,1-3H2/t5-/m1/s1
InChIKeyORAKMCKKWFTLTP-RXMQYKEDSA-N
XLogP3.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one?
The IUPAC name of (3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one (CID 134863655) is (3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one.
What is the SMILES notation for (3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one?
The canonical SMILES for (3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one is O=C1CC[C@@H](c2nc(C(F)(F)F)ncc2Br)C1.
What is the InChIKey of (3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one?
The InChIKey is ORAKMCKKWFTLTP-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H8BrF3N2O/c11-7-4-15-9(10(12,13)14)16-8(7)5-1-2-6(17)3-5/h4-5H,1-3H2/t5-/m1/s1.
What are the key properties of (3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one?
(3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one has a molecular weight of 309.09 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-bromo-2-(trifluoromethyl)pyrimidin-4-yl]cyclopentan-1-one is sourced from PubChem (CID 134863655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).