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

C10H16F2O2 — CID 82009913

IUPAC3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OCC(F)F
InChIInChI=1S/C10H16F2O2/c1-3-10(4-2)7(13)5-8(10)14-6-9(11)12/h8-9H,3-6H2,1-2H3
InChIKeyFTMVNLKLSJAGLR-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.42
Rot. Bonds5

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

3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one (PubChem CID 82009913) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one
PubChem CID82009913
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OCC(F)F
InChIInChI=1S/C10H16F2O2/c1-3-10(4-2)7(13)5-8(10)14-6-9(11)12/h8-9H,3-6H2,1-2H3
InChIKeyFTMVNLKLSJAGLR-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.42
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)-2,2-diethylcyclobutan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one (CID 82009913) is 3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one is CCC1(CC)C(=O)CC1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one?
The InChIKey is FTMVNLKLSJAGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-3-10(4-2)7(13)5-8(10)14-6-9(11)12/h8-9H,3-6H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one?
3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one has a molecular weight of 206.23 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2,2-diethylcyclobutan-1-one is sourced from PubChem (CID 82009913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).