2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one

C14H15F3O — CID 122215209

IUPAC2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
SMILESCc1ccc(C2(CC(F)(F)F)CCCC2=O)cc1
InChIInChI=1S/C14H15F3O/c1-10-4-6-11(7-5-10)13(9-14(15,16)17)8-2-3-12(13)18/h4-7H,2-3,8-9H2,1H3
InChIKeyHFERFWBHOIYXHJ-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.94
Rot. Bonds2

About 2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one

2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one (PubChem CID 122215209) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
PubChem CID122215209
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
SMILESCc1ccc(C2(CC(F)(F)F)CCCC2=O)cc1
InChIInChI=1S/C14H15F3O/c1-10-4-6-11(7-5-10)13(9-14(15,16)17)8-2-3-12(13)18/h4-7H,2-3,8-9H2,1H3
InChIKeyHFERFWBHOIYXHJ-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one?
The IUPAC name of 2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one (CID 122215209) is 2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one?
The canonical SMILES for 2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one is Cc1ccc(C2(CC(F)(F)F)CCCC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one?
The InChIKey is HFERFWBHOIYXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c1-10-4-6-11(7-5-10)13(9-14(15,16)17)8-2-3-12(13)18/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one?
2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one has a molecular weight of 256.27 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one is sourced from PubChem (CID 122215209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).