ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate

C16H20FNO2 — CID 60992356

IUPACethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate
SMILESCCOC(=O)C(Nc1ccc(F)cc1)C1CC=CCC1
InChIInChI=1S/C16H20FNO2/c1-2-20-16(19)15(12-6-4-3-5-7-12)18-14-10-8-13(17)9-11-14/h3-4,8-12,15,18H,2,5-7H2,1H3
InChIKeyUPMZOBVZHCFEIG-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.53
Rot. Bonds5

About ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate

ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate (PubChem CID 60992356) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate
PubChem CID60992356
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Nameethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate
SMILESCCOC(=O)C(Nc1ccc(F)cc1)C1CC=CCC1
InChIInChI=1S/C16H20FNO2/c1-2-20-16(19)15(12-6-4-3-5-7-12)18-14-10-8-13(17)9-11-14/h3-4,8-12,15,18H,2,5-7H2,1H3
InChIKeyUPMZOBVZHCFEIG-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-chloroanilino)-2-(oxan-4-yl)acetate
CID 62387239
ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate
CID 104711228
ethyl 2-(4-fluoroanilino)-3,3-dimethylbutanoate
CID 61325169
ethyl 2-(4-bromoanilino)-2-(oxolan-3-yl)acetate
CID 54890681
ethyl 2-(4-methoxyanilino)-2-(thiolan-3-yl)acetate
CID 107133000
ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60992471
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786
ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate
CID 61498267
methyl 2-cyclopropyl-2-(4-ethoxy-3-fluoroanilino)acetate
CID 113369484
1-cyclohex-3-en-1-yl-1-ethoxypentan-2-one
CID 83225395
ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate
CID 140734868
methyl 2-(4-fluoroanilino)-2-(oxolan-2-yl)acetate
CID 82836869

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate?
The IUPAC name of ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate (CID 60992356) is ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate.
What is the SMILES notation for ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate?
The canonical SMILES for ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate is CCOC(=O)C(Nc1ccc(F)cc1)C1CC=CCC1.
What is the InChIKey of ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate?
The InChIKey is UPMZOBVZHCFEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-2-20-16(19)15(12-6-4-3-5-7-12)18-14-10-8-13(17)9-11-14/h3-4,8-12,15,18H,2,5-7H2,1H3.
What are the key properties of ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate?
ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate has a molecular weight of 277.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohex-3-en-1-yl-2-(4-fluoroanilino)acetate is sourced from PubChem (CID 60992356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).