methyl N-(1-fluoropent-4-en-2-yl)carbamate

C7H12FNO2 — CID 14512867

IUPACmethyl N-(1-fluoropent-4-en-2-yl)carbamate
SMILESC=CCC(CF)NC(=O)OC
InChIInChI=1S/C7H12FNO2/c1-3-4-6(5-8)9-7(10)11-2/h3,6H,1,4-5H2,2H3,(H,9,10)
InChIKeyODQANLQXBJRYCY-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.26
Rot. Bonds4

About methyl N-(1-fluoropent-4-en-2-yl)carbamate

methyl N-(1-fluoropent-4-en-2-yl)carbamate (PubChem CID 14512867) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is methyl N-(1-fluoropent-4-en-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-fluoropent-4-en-2-yl)carbamate
PubChem CID14512867
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Namemethyl N-(1-fluoropent-4-en-2-yl)carbamate
SMILESC=CCC(CF)NC(=O)OC
InChIInChI=1S/C7H12FNO2/c1-3-4-6(5-8)9-7(10)11-2/h3,6H,1,4-5H2,2H3,(H,9,10)
InChIKeyODQANLQXBJRYCY-UHFFFAOYSA-N
XLogP1.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl N-(1-fluoropent-4-en-2-yl)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 methyl N-(1-fluoropent-4-en-2-yl)carbamate?
The IUPAC name of methyl N-(1-fluoropent-4-en-2-yl)carbamate (CID 14512867) is methyl N-(1-fluoropent-4-en-2-yl)carbamate.
What is the SMILES notation for methyl N-(1-fluoropent-4-en-2-yl)carbamate?
The canonical SMILES for methyl N-(1-fluoropent-4-en-2-yl)carbamate is C=CCC(CF)NC(=O)OC.
What is the InChIKey of methyl N-(1-fluoropent-4-en-2-yl)carbamate?
The InChIKey is ODQANLQXBJRYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-3-4-6(5-8)9-7(10)11-2/h3,6H,1,4-5H2,2H3,(H,9,10).
What are the key properties of methyl N-(1-fluoropent-4-en-2-yl)carbamate?
methyl N-(1-fluoropent-4-en-2-yl)carbamate has a molecular weight of 161.18 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-fluoropent-4-en-2-yl)carbamate is sourced from PubChem (CID 14512867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).