ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate

C11H20FNO2 — CID 146451196

IUPACethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N(C)C)C(F)C1
InChIInChI=1S/C11H20FNO2/c1-4-15-11(14)8-5-6-10(13(2)3)9(12)7-8/h8-10H,4-7H2,1-3H3
InChIKeyWIIYIELIVHEXJG-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.62
Rot. Bonds3

About ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate

ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate (PubChem CID 146451196) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate
PubChem CID146451196
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Nameethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N(C)C)C(F)C1
InChIInChI=1S/C11H20FNO2/c1-4-15-11(14)8-5-6-10(13(2)3)9(12)7-8/h8-10H,4-7H2,1-3H3
InChIKeyWIIYIELIVHEXJG-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(dimethylamino)-3-fluorocyclohexane-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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate (CID 146451196) is ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate is CCOC(=O)C1CCC(N(C)C)C(F)C1.
What is the InChIKey of ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate?
The InChIKey is WIIYIELIVHEXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-4-15-11(14)8-5-6-10(13(2)3)9(12)7-8/h8-10H,4-7H2,1-3H3.
What are the key properties of ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate?
ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate has a molecular weight of 217.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylate is sourced from PubChem (CID 146451196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).