ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate

C10H15FO3 — CID 24756474

IUPACethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate
SMILESCCOC(=O)/C(F)=C1\CCCCC1O
InChIInChI=1S/C10H15FO3/c1-2-14-10(13)9(11)7-5-3-4-6-8(7)12/h8,12H,2-6H2,1H3/b9-7-
InChIKeyRYVDMSYRAWCWHU-CLFYSBASSA-N
MW202.22 g/mol
LogP1.71
Rot. Bonds2

About ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate

ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate (PubChem CID 24756474) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate
PubChem CID24756474
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Nameethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate
SMILESCCOC(=O)/C(F)=C1\CCCCC1O
InChIInChI=1S/C10H15FO3/c1-2-14-10(13)9(11)7-5-3-4-6-8(7)12/h8,12H,2-6H2,1H3/b9-7-
InChIKeyRYVDMSYRAWCWHU-CLFYSBASSA-N
XLogP1.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)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 (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate?
The IUPAC name of ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate (CID 24756474) is ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate is CCOC(=O)/C(F)=C1\CCCCC1O.
What is the InChIKey of ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate?
The InChIKey is RYVDMSYRAWCWHU-CLFYSBASSA-N. The full InChI is InChI=1S/C10H15FO3/c1-2-14-10(13)9(11)7-5-3-4-6-8(7)12/h8,12H,2-6H2,1H3/b9-7-.
What are the key properties of ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate?
ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate has a molecular weight of 202.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-fluoro-2-(2-hydroxycyclohexylidene)acetate is sourced from PubChem (CID 24756474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).