3-(2,2-difluoroethoxy)cyclopentan-1-one

C7H10F2O2 — CID 82005782

IUPAC3-(2,2-difluoroethoxy)cyclopentan-1-one
SMILESO=C1CCC(OCC(F)F)C1
InChIInChI=1S/C7H10F2O2/c8-7(9)4-11-6-2-1-5(10)3-6/h6-7H,1-4H2
InChIKeyKBDUXJSNLSRFLT-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.39
Rot. Bonds3

About 3-(2,2-difluoroethoxy)cyclopentan-1-one

3-(2,2-difluoroethoxy)cyclopentan-1-one (PubChem CID 82005782) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)cyclopentan-1-one
PubChem CID82005782
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name3-(2,2-difluoroethoxy)cyclopentan-1-one
SMILESO=C1CCC(OCC(F)F)C1
InChIInChI=1S/C7H10F2O2/c8-7(9)4-11-6-2-1-5(10)3-6/h6-7H,1-4H2
InChIKeyKBDUXJSNLSRFLT-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)cyclopentan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)cyclopentan-1-one (CID 82005782) is 3-(2,2-difluoroethoxy)cyclopentan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)cyclopentan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)cyclopentan-1-one is O=C1CCC(OCC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)cyclopentan-1-one?
The InChIKey is KBDUXJSNLSRFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-7(9)4-11-6-2-1-5(10)3-6/h6-7H,1-4H2.
What are the key properties of 3-(2,2-difluoroethoxy)cyclopentan-1-one?
3-(2,2-difluoroethoxy)cyclopentan-1-one has a molecular weight of 164.15 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)cyclopentan-1-one is sourced from PubChem (CID 82005782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).