ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate

C14H18FNO2 — CID 54890422

IUPACethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2F)CCCC1
InChIInChI=1S/C14H18FNO2/c1-2-18-13(17)14(9-5-6-10-14)16-12-8-4-3-7-11(12)15/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKeyWEUWKJLNVKATMC-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.11
Rot. Bonds4

About ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate

ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate (PubChem CID 54890422) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate
PubChem CID54890422
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nameethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2F)CCCC1
InChIInChI=1S/C14H18FNO2/c1-2-18-13(17)14(9-5-6-10-14)16-12-8-4-3-7-11(12)15/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKeyWEUWKJLNVKATMC-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate (CID 54890422) is ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate is CCOC(=O)C1(Nc2ccccc2F)CCCC1.
What is the InChIKey of ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate?
The InChIKey is WEUWKJLNVKATMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-18-13(17)14(9-5-6-10-14)16-12-8-4-3-7-11(12)15/h3-4,7-8,16H,2,5-6,9-10H2,1H3.
What are the key properties of ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate?
ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-fluoroanilino)cyclopentane-1-carboxylate is sourced from PubChem (CID 54890422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).