tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate

C9H16FNO2 — CID 126689633

IUPACtert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC/C=C\F
InChIInChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4,6H,5,7H2,1-3H3,(H,11,12)/b6-4-
InChIKeyVTKIAONJAINVIN-XQRVVYSFSA-N
MW189.23 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate

tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate (PubChem CID 126689633) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate
PubChem CID126689633
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Nametert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC/C=C\F
InChIInChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4,6H,5,7H2,1-3H3,(H,11,12)/b6-4-
InChIKeyVTKIAONJAINVIN-XQRVVYSFSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl pent-4-EN-1-ylcarbamate
CID 12181732
tert-butyl N-(prop-2-en-1-yl)carbamate
CID 4067274
Tert-butyl but-3-EN-1-ylcarbamate
CID 11263760
tert-butyl N-(2-methylbut-3-en-1-yl)carbamate
CID 59650911
tert-Butyl (2-fluorobut-3-en-1-yl)methylcarbamate
CID 71380798
tert-butyl N-(4-ethenylhexa-3,5-dienyl)carbamate
CID 134857643
tert-butyl N-(3-methylbut-3-en-2-yl)carbamate
CID 10726189
tert-butyl N-(3-methylpent-4-en-1-yl)carbamate
CID 12181709
Tert-butyl (4-methylpent-1-en-3-yl)carbamate
CID 13905154
Tert-butyl N-[(3S)-4-methylpent-1-EN-3-YL]carbamate
CID 13905155
Carbamic acid, 5-hexenyl-, 1,1-dimethylethyl ester (9CI)
CID 42636780
tert-butyl N-[(1S)-1-methylbut-3-enyl]carbamate
CID 122432452

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate (CID 126689633) is tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate is CC(C)(C)OC(=O)NCC/C=C\F.
What is the InChIKey of tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate?
The InChIKey is VTKIAONJAINVIN-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4,6H,5,7H2,1-3H3,(H,11,12)/b6-4-.
What are the key properties of tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate?
tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate has a molecular weight of 189.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-4-fluorobut-3-enyl]carbamate is sourced from PubChem (CID 126689633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).