ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate

C15H20FNO3 — CID 106822656

IUPACethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2F)CC(OCC)C1
InChIInChI=1S/C15H20FNO3/c1-3-19-11-9-15(10-11,14(18)20-4-2)17-13-8-6-5-7-12(13)16/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyYFSBWGLARPNSPV-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.74
Rot. Bonds6

About ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate

ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate (PubChem CID 106822656) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate
PubChem CID106822656
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nameethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2F)CC(OCC)C1
InChIInChI=1S/C15H20FNO3/c1-3-19-11-9-15(10-11,14(18)20-4-2)17-13-8-6-5-7-12(13)16/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyYFSBWGLARPNSPV-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylic acid
CID 106822653
ethyl 3-(2-fluoroanilino)-1,5-dimethylpyrrolidine-3-carboxylate
CID 81468732
ethyl 1-(2-bromoanilino)-3-methylcyclobutane-1-carboxylate
CID 103563478
ethyl 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64752668
1-anilino-3-ethoxycyclobutane-1-carboxylic acid
CID 106822581
ethyl 1-(2-chloroanilino)-3-methoxycyclohexane-1-carboxylate
CID 106872998
ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate
CID 103439478
ethyl 1-(2-bromoanilino)cyclobutane-1-carboxylate
CID 62389465
ethyl 1-(2-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82844696
ethyl 1-(2-chloroanilino)cyclobutane-1-carboxylate
CID 55067667
4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
CID 60993612
ethyl 3-(2-methylanilino)oxolane-3-carboxylate
CID 63333123

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate (CID 106822656) is ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate is CCOC(=O)C1(Nc2ccccc2F)CC(OCC)C1.
What is the InChIKey of ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate?
The InChIKey is YFSBWGLARPNSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-19-11-9-15(10-11,14(18)20-4-2)17-13-8-6-5-7-12(13)16/h5-8,11,17H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate?
ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylate is sourced from PubChem (CID 106822656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).