ethyl 4-(4-fluoroanilino)oxane-4-carboxylate

C14H18FNO3 — CID 54890141

IUPACethyl 4-(4-fluoroanilino)oxane-4-carboxylate
SMILESCCOC(=O)C1(Nc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C14H18FNO3/c1-2-19-13(17)14(7-9-18-10-8-14)16-12-5-3-11(15)4-6-12/h3-6,16H,2,7-10H2,1H3
InChIKeyVASONGFEAWAGTQ-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.35
Rot. Bonds4

About ethyl 4-(4-fluoroanilino)oxane-4-carboxylate

ethyl 4-(4-fluoroanilino)oxane-4-carboxylate (PubChem CID 54890141) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 4-(4-fluoroanilino)oxane-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluoroanilino)oxane-4-carboxylate
PubChem CID54890141
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nameethyl 4-(4-fluoroanilino)oxane-4-carboxylate
SMILESCCOC(=O)C1(Nc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C14H18FNO3/c1-2-19-13(17)14(7-9-18-10-8-14)16-12-5-3-11(15)4-6-12/h3-6,16H,2,7-10H2,1H3
InChIKeyVASONGFEAWAGTQ-UHFFFAOYSA-N
XLogP2.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluoroanilino)oxane-4-carboxylate?
The IUPAC name of ethyl 4-(4-fluoroanilino)oxane-4-carboxylate (CID 54890141) is ethyl 4-(4-fluoroanilino)oxane-4-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluoroanilino)oxane-4-carboxylate?
The canonical SMILES for ethyl 4-(4-fluoroanilino)oxane-4-carboxylate is CCOC(=O)C1(Nc2ccc(F)cc2)CCOCC1.
What is the InChIKey of ethyl 4-(4-fluoroanilino)oxane-4-carboxylate?
The InChIKey is VASONGFEAWAGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-19-13(17)14(7-9-18-10-8-14)16-12-5-3-11(15)4-6-12/h3-6,16H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(4-fluoroanilino)oxane-4-carboxylate?
ethyl 4-(4-fluoroanilino)oxane-4-carboxylate has a molecular weight of 267.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluoroanilino)oxane-4-carboxylate is sourced from PubChem (CID 54890141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).