ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate

C9H15FO3 — CID 19783078

IUPACethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(F)CCCCC1O
InChIInChI=1S/C9H15FO3/c1-2-13-8(12)9(10)6-4-3-5-7(9)11/h7,11H,2-6H2,1H3
InChIKeyNDKDIEOYJKYBSI-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.19
Rot. Bonds2

About ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate

ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate (PubChem CID 19783078) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate
PubChem CID19783078
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Nameethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(F)CCCCC1O
InChIInChI=1S/C9H15FO3/c1-2-13-8(12)9(10)6-4-3-5-7(9)11/h7,11H,2-6H2,1H3
InChIKeyNDKDIEOYJKYBSI-UHFFFAOYSA-N
XLogP1.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1-fluoro-2-hydroxycyclohexane-1-carboxylic acid
CID 19783093
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
cis-ethyl (1R,2R)-2-hydroxy-1-prop-2-enylcyclohexane-1-carboxylate
CID 101032729
trans-ethyl (1R,2S)-1-(2-cyanoethyl)-2-hydroxycyclohexane-1-carboxylate
CID 10922189
ethyl (2R,3S)-3-hydroxy-2-methyloxepane-2-carboxylate
CID 122224173
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
ethyl 2-[(1S)-2,2-difluorocyclohexyl]acetate
CID 95170239
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
CID 54892627
trans-ethyl (1S,2R)-2-cyano-1-fluorocyclopropane-1-carboxylate
CID 134845665
ethyl (3aS,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-carboxylate
CID 125042073
trans-ethyl (1S,2R)-2-acetyloxy-1-hydroxycyclohexane-1-carboxylate
CID 167134264

Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate (CID 19783078) is ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate is CCOC(=O)C1(F)CCCCC1O.
What is the InChIKey of ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate?
The InChIKey is NDKDIEOYJKYBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c1-2-13-8(12)9(10)6-4-3-5-7(9)11/h7,11H,2-6H2,1H3.
What are the key properties of ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate?
ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate has a molecular weight of 190.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluoro-2-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 19783078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).