ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate

C15H20FNO2 — CID 54890047

IUPACethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C15H20FNO2/c1-2-19-14(18)15(10-4-3-5-11-15)17-13-8-6-12(16)7-9-13/h6-9,17H,2-5,10-11H2,1H3
InChIKeyCJQGZHJDYXWLSJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.50
Rot. Bonds4

About ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate

ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate (PubChem CID 54890047) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate
PubChem CID54890047
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C15H20FNO2/c1-2-19-14(18)15(10-4-3-5-11-15)17-13-8-6-12(16)7-9-13/h6-9,17H,2-5,10-11H2,1H3
InChIKeyCJQGZHJDYXWLSJ-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate (CID 54890047) is ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate is CCOC(=O)C1(Nc2ccc(F)cc2)CCCCC1.
What is the InChIKey of ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate?
The InChIKey is CJQGZHJDYXWLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-14(18)15(10-4-3-5-11-15)17-13-8-6-12(16)7-9-13/h6-9,17H,2-5,10-11H2,1H3.
What are the key properties of ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate?
ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluoroanilino)cyclohexane-1-carboxylate is sourced from PubChem (CID 54890047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).