ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate

C10H16F2O3 — CID 10933036

IUPACethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCCCC1
InChIInChI=1S/C10H16F2O3/c1-2-15-8(13)10(11,12)9(14)6-4-3-5-7-9/h14H,2-7H2,1H3
InChIKeyFCGLYDCQOXRXKY-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.88
Rot. Bonds3

About ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate

ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate (PubChem CID 10933036) has the molecular formula C10H16F2O3 and a molecular weight of 222.23 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate
PubChem CID10933036
Molecular FormulaC10H16F2O3
Molecular Weight222.23 g/mol
Exact Mass222.11
IUPAC Nameethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCCCC1
InChIInChI=1S/C10H16F2O3/c1-2-15-8(13)10(11,12)9(14)6-4-3-5-7-9/h14H,2-7H2,1H3
InChIKeyFCGLYDCQOXRXKY-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate 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 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate (CID 10933036) is ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate is CCOC(=O)C(F)(F)C1(O)CCCCC1.
What is the InChIKey of ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate?
The InChIKey is FCGLYDCQOXRXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O3/c1-2-15-8(13)10(11,12)9(14)6-4-3-5-7-9/h14H,2-7H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate?
ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate has a molecular weight of 222.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(1-hydroxycyclohexyl)acetate is sourced from PubChem (CID 10933036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).