ethyl 2-ethyl-3,3-difluorobutanoate

C8H14F2O2 — CID 12927205

IUPACethyl 2-ethyl-3,3-difluorobutanoate
SMILESCCOC(=O)C(CC)C(C)(F)F
InChIInChI=1S/C8H14F2O2/c1-4-6(8(3,9)10)7(11)12-5-2/h6H,4-5H2,1-3H3
InChIKeyNUFHYLCHBMCUQA-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.23
Rot. Bonds4

About ethyl 2-ethyl-3,3-difluorobutanoate

ethyl 2-ethyl-3,3-difluorobutanoate (PubChem CID 12927205) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is ethyl 2-ethyl-3,3-difluorobutanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-3,3-difluorobutanoate
PubChem CID12927205
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Nameethyl 2-ethyl-3,3-difluorobutanoate
SMILESCCOC(=O)C(CC)C(C)(F)F
InChIInChI=1S/C8H14F2O2/c1-4-6(8(3,9)10)7(11)12-5-2/h6H,4-5H2,1-3H3
InChIKeyNUFHYLCHBMCUQA-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-ethyl-3,3-difluorobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3,3-difluorobutanoate?
The IUPAC name of ethyl 2-ethyl-3,3-difluorobutanoate (CID 12927205) is ethyl 2-ethyl-3,3-difluorobutanoate.
What is the SMILES notation for ethyl 2-ethyl-3,3-difluorobutanoate?
The canonical SMILES for ethyl 2-ethyl-3,3-difluorobutanoate is CCOC(=O)C(CC)C(C)(F)F.
What is the InChIKey of ethyl 2-ethyl-3,3-difluorobutanoate?
The InChIKey is NUFHYLCHBMCUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-4-6(8(3,9)10)7(11)12-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-3,3-difluorobutanoate?
ethyl 2-ethyl-3,3-difluorobutanoate has a molecular weight of 180.19 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3,3-difluorobutanoate is sourced from PubChem (CID 12927205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).