tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate

C15H20FNO3 — CID 70429366

IUPACtert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1N(CC=CF)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17(11-7-10-16)12-8-5-6-9-13(12)19-4/h5-10H,11H2,1-4H3
InChIKeyQUWLZQMFTQGBAB-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.92
Rot. Bonds4

About tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate

tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate (PubChem CID 70429366) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate
PubChem CID70429366
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nametert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1N(CC=CF)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17(11-7-10-16)12-8-5-6-9-13(12)19-4/h5-10H,11H2,1-4H3
InChIKeyQUWLZQMFTQGBAB-UHFFFAOYSA-N
XLogP3.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)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 N-benzyl-N-(2,5-dimethoxyphenyl)carbamate
CID 10472618
tert-butyl 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methoxyanilino)acetate
CID 19001966
tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate
CID 132516346
tert-butyl 2-(2-methoxy-N-methylanilino)propanoate
CID 64689348
N-ethyl-N-(2-methoxyphenyl)carbamate
CID 57360584
tert-butyl N-(2-methoxyphenyl)-N-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]carbamate
CID 22321603
tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
CID 70071054
tert-butyl N-(2-methoxyphenyl)-N-[(6S)-7-oxo-1,2,5,6-tetrahydroazepin-6-yl]carbamate
CID 123223528
tert-butyl N-(2-chloro-3-pyridinyl)-N-prop-2-enylcarbamate
CID 86639381
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543
tert-butyl N-(2-iodophenyl)-N-propylcarbamate
CID 165178423

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate (CID 70429366) is tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate is COc1ccccc1N(CC=CF)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate?
The InChIKey is QUWLZQMFTQGBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17(11-7-10-16)12-8-5-6-9-13(12)19-4/h5-10H,11H2,1-4H3.
What are the key properties of tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate?
tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate has a molecular weight of 281.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 70429366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).