2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

C13H20FNO2 — CID 58895281

IUPAC2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OCCF)CC1
InChIInChI=1S/C13H20FNO2/c1-10(2)12-5-3-11(4-6-12)9-15-13(16)17-8-7-14/h3,12H,1,4-9H2,2H3,(H,15,16)
InChIKeyZSELURWBWGJJLO-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.98
Rot. Bonds5

About 2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (PubChem CID 58895281) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
PubChem CID58895281
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OCCF)CC1
InChIInChI=1S/C13H20FNO2/c1-10(2)12-5-3-11(4-6-12)9-15-13(16)17-8-7-14/h3,12H,1,4-9H2,2H3,(H,15,16)
InChIKeyZSELURWBWGJJLO-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (CID 58895281) is 2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is C=C(C)C1CC=C(CNC(=O)OCCF)CC1.
What is the InChIKey of 2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The InChIKey is ZSELURWBWGJJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-10(2)12-5-3-11(4-6-12)9-15-13(16)17-8-7-14/h3,12H,1,4-9H2,2H3,(H,15,16).
What are the key properties of 2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate has a molecular weight of 241.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is sourced from PubChem (CID 58895281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).