2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate

C12H18FNO2 — CID 58895300

IUPAC2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESO=C(NC/C=C/C1CC=CCC1)OCCF
InChIInChI=1S/C12H18FNO2/c13-8-10-16-12(15)14-9-4-7-11-5-2-1-3-6-11/h1-2,4,7,11H,3,5-6,8-10H2,(H,14,15)/b7-4+
InChIKeyVVSYUYKUMFMKHG-QPJJXVBHSA-N
MW227.28 g/mol
LogP2.59
Rot. Bonds5

About 2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate

2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (PubChem CID 58895300) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
PubChem CID58895300
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESO=C(NC/C=C/C1CC=CCC1)OCCF
InChIInChI=1S/C12H18FNO2/c13-8-10-16-12(15)14-9-4-7-11-5-2-1-3-6-11/h1-2,4,7,11H,3,5-6,8-10H2,(H,14,15)/b7-4+
InChIKeyVVSYUYKUMFMKHG-QPJJXVBHSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (CID 58895300) is 2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is O=C(NC/C=C/C1CC=CCC1)OCCF.
What is the InChIKey of 2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The InChIKey is VVSYUYKUMFMKHG-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H18FNO2/c13-8-10-16-12(15)14-9-4-7-11-5-2-1-3-6-11/h1-2,4,7,11H,3,5-6,8-10H2,(H,14,15)/b7-4+.
What are the key properties of 2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate has a molecular weight of 227.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is sourced from PubChem (CID 58895300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).