1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one

C10H15F3O2 — CID 103214036

IUPAC1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C10H15F3O2/c11-10(12,13)7-15-6-9(14)5-8-3-1-2-4-8/h8H,1-7H2
InChIKeyMMNXSGDHPXURAO-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.71
Rot. Bonds5

About 1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one

1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one (PubChem CID 103214036) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one
PubChem CID103214036
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C10H15F3O2/c11-10(12,13)7-15-6-9(14)5-8-3-1-2-4-8/h8H,1-7H2
InChIKeyMMNXSGDHPXURAO-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
The IUPAC name of 1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one (CID 103214036) is 1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
The canonical SMILES for 1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one is O=C(COCC(F)(F)F)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
The InChIKey is MMNXSGDHPXURAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c11-10(12,13)7-15-6-9(14)5-8-3-1-2-4-8/h8H,1-7H2.
What are the key properties of 1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one?
1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one has a molecular weight of 224.22 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,2,2-trifluoroethoxy)propan-2-one is sourced from PubChem (CID 103214036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).