tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate

C10H18FNO2 — CID 71380798

IUPACtert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate
SMILESC=CC(F)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO2/c1-6-8(11)7-12(5)9(13)14-10(2,3)4/h6,8H,1,7H2,2-5H3
InChIKeyUVWDETDJUFXAHG-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate

tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate (PubChem CID 71380798) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate
PubChem CID71380798
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Nametert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate
SMILESC=CC(F)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO2/c1-6-8(11)7-12(5)9(13)14-10(2,3)4/h6,8H,1,7H2,2-5H3
InChIKeyUVWDETDJUFXAHG-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate 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 tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate (CID 71380798) is tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate is C=CC(F)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate?
The InChIKey is UVWDETDJUFXAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-6-8(11)7-12(5)9(13)14-10(2,3)4/h6,8H,1,7H2,2-5H3.
What are the key properties of tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate?
tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate has a molecular weight of 203.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluorobut-3-enyl)-N-methylcarbamate is sourced from PubChem (CID 71380798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).