tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate

C13H24FNO2 — CID 162378290

IUPACtert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate
SMILESC/C(=C\CC(C)F)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24FNO2/c1-10(7-8-11(2)14)9-15(6)12(16)17-13(3,4)5/h7,11H,8-9H2,1-6H3/b10-7+
InChIKeyRJBRWUVVTCOGGR-JXMROGBWSA-N
MW245.34 g/mol
LogP3.55
Rot. Bonds4

About tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate

tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate (PubChem CID 162378290) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate
PubChem CID162378290
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Nametert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate
SMILESC/C(=C\CC(C)F)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24FNO2/c1-10(7-8-11(2)14)9-15(6)12(16)17-13(3,4)5/h7,11H,8-9H2,1-6H3/b10-7+
InChIKeyRJBRWUVVTCOGGR-JXMROGBWSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(E)-5-fluoro-2-methylhex-2-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-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate (CID 162378290) is tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate is C/C(=C\CC(C)F)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate?
The InChIKey is RJBRWUVVTCOGGR-JXMROGBWSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-10(7-8-11(2)14)9-15(6)12(16)17-13(3,4)5/h7,11H,8-9H2,1-6H3/b10-7+.
What are the key properties of tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate?
tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate has a molecular weight of 245.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate is sourced from PubChem (CID 162378290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).