ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate

C15H18FNO2 — CID 91257895

IUPACethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\Cc1ccc(F)cc1
InChIInChI=1S/C15H18FNO2/c1-2-19-15(18)13-4-3-5-14(13)17-10-11-6-8-12(16)9-7-11/h6-9,13H,2-5,10H2,1H3/b17-14+
InChIKeyLLSXVVOYEHSSJI-SAPNQHFASA-N
MW263.31 g/mol
LogP3.13
Rot. Bonds4

About ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate

ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate (PubChem CID 91257895) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate
PubChem CID91257895
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Nameethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC/C1=N\Cc1ccc(F)cc1
InChIInChI=1S/C15H18FNO2/c1-2-19-15(18)13-4-3-5-14(13)17-10-11-6-8-12(16)9-7-11/h6-9,13H,2-5,10H2,1H3/b17-14+
InChIKeyLLSXVVOYEHSSJI-SAPNQHFASA-N
XLogP3.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[C-methyl-N-(2-phenylethyl)carbonimidoyl]oxolan-2-one
CID 2825484
Ethyl 3-benzylimino-4,4,4-trifluorobutanoate
CID 134857597
(3S)-3-phenyl-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2,3-dihydro-1,4-oxazin-6-one
CID 134858529
Ethyl 3-benzylimino-4,4-difluorobutanoate
CID 53659529
Ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate
CID 54042851
Ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate
CID 54290895
Ethyl 3-benzylimino-2,4-difluorobutanoate
CID 54462749
Methyl 2-(4-fluorophenyl)-6-methyl-2,3-dihydropyridine-3-carboxylate
CID 58926928
Ethyl 3-benzylimino-5-fluoro-4,4-dimethoxypentanoate
CID 90713065
Ethyl 3-[(2,6-difluorophenyl)methylimino]butanoate
CID 90756527
ethyl 4,4,4-trifluoro-3-[(1S)-1-phenylethyl]iminobutanoate
CID 90964693
Ethyl 2-[2-[1-[4-(trifluoromethyl)phenyl]butylimino]cyclohexyl]acetate
CID 91327410

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate (CID 91257895) is ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate is CCOC(=O)C1CCC/C1=N\Cc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate?
The InChIKey is LLSXVVOYEHSSJI-SAPNQHFASA-N. The full InChI is InChI=1S/C15H18FNO2/c1-2-19-15(18)13-4-3-5-14(13)17-10-11-6-8-12(16)9-7-11/h6-9,13H,2-5,10H2,1H3/b17-14+.
What are the key properties of ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate?
ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate has a molecular weight of 263.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorophenyl)methylimino]cyclopentane-1-carboxylate is sourced from PubChem (CID 91257895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).