2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one

C12H12F3NO — CID 102708865

IUPAC2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one
SMILESCC1C(=O)CCC1c1cnccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c1-7-8(2-3-11(7)17)9-6-16-5-4-10(9)12(13,14)15/h4-8H,2-3H2,1H3
InChIKeyVMMXPZFSYZOZFL-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.18
Rot. Bonds1

About 2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one

2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one (PubChem CID 102708865) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one
PubChem CID102708865
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one
SMILESCC1C(=O)CCC1c1cnccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO/c1-7-8(2-3-11(7)17)9-6-16-5-4-10(9)12(13,14)15/h4-8H,2-3H2,1H3
InChIKeyVMMXPZFSYZOZFL-UHFFFAOYSA-N
XLogP3.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one?
The IUPAC name of 2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one (CID 102708865) is 2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one.
What is the SMILES notation for 2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one?
The canonical SMILES for 2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one is CC1C(=O)CCC1c1cnccc1C(F)(F)F.
What is the InChIKey of 2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one?
The InChIKey is VMMXPZFSYZOZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-7-8(2-3-11(7)17)9-6-16-5-4-10(9)12(13,14)15/h4-8H,2-3H2,1H3.
What are the key properties of 2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one?
2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one has a molecular weight of 243.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one is sourced from PubChem (CID 102708865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).