ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate

C13H14FNO3 — CID 56956060

IUPACethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO3/c1-2-18-12(17)13(7-8-13)11(16)15-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyFJMLTTAPGNFDSI-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.11
Rot. Bonds4

About ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate

ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 56956060) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID56956060
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Nameethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO3/c1-2-18-12(17)13(7-8-13)11(16)15-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyFJMLTTAPGNFDSI-UHFFFAOYSA-N
XLogP2.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate (CID 56956060) is ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate is CCOC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is FJMLTTAPGNFDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-2-18-12(17)13(7-8-13)11(16)15-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,16).
What are the key properties of ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 56956060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).