ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate

C15H20FNO2 — CID 13218484

IUPACethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(F)cc2)CC1CN(C)C
InChIInChI=1S/C15H20FNO2/c1-4-19-14(18)15(9-12(15)10-17(2)3)11-5-7-13(16)8-6-11/h5-8,12H,4,9-10H2,1-3H3
InChIKeyQFVUCTGVTNQNJX-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.21
Rot. Bonds5

About ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate

ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 13218484) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID13218484
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(F)cc2)CC1CN(C)C
InChIInChI=1S/C15H20FNO2/c1-4-19-14(18)15(9-12(15)10-17(2)3)11-5-7-13(16)8-6-11/h5-8,12H,4,9-10H2,1-3H3
InChIKeyQFVUCTGVTNQNJX-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate (CID 13218484) is ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(F)cc2)CC1CN(C)C.
What is the InChIKey of ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is QFVUCTGVTNQNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-4-19-14(18)15(9-12(15)10-17(2)3)11-5-7-13(16)8-6-11/h5-8,12H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate?
ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 13218484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).