tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate

C14H18FNO3 — CID 169454209

IUPACtert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C=CCO)cc1F
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-12-7-6-10(5-4-8-17)9-11(12)15/h4-7,9,17H,8H2,1-3H3,(H,16,18)
InChIKeyZVUZUOHDBFPENE-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate

tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate (PubChem CID 169454209) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate
PubChem CID169454209
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C=CCO)cc1F
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-12-7-6-10(5-4-8-17)9-11(12)15/h4-7,9,17H,8H2,1-3H3,(H,16,18)
InChIKeyZVUZUOHDBFPENE-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]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-[4-(3-cyanoprop-1-enyl)-2-fluorophenyl]carbamate
CID 170800686
tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate
CID 169466457
tert-butyl N-[2-fluoro-4-(4-sulfanylbut-1-enyl)phenyl]carbamate
CID 170479329
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methanesulfinic acid
CID 174589000
tert-butyl N-[4-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 22563949
tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
CID 131118705
tert-butyl N-[4-(3-chloro-4-fluorophenyl)but-3-enyl]carbamate
CID 170490014
tert-butyl N-[5-[(E)-3-aminoprop-1-enyl]-2-methoxyphenyl]carbamate
CID 117446430
2-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoic acid
CID 169467747
tert-butyl N-(2,5-difluoro-4-formylphenyl)carbamate
CID 84805525
tert-butyl N-[[3-(3-hydroxyprop-1-enyl)phenyl]methyl]carbamate
CID 169454210

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate (CID 169454209) is tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C=CCO)cc1F.
What is the InChIKey of tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate?
The InChIKey is ZVUZUOHDBFPENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-12-7-6-10(5-4-8-17)9-11(12)15/h4-7,9,17H,8H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate?
tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate has a molecular weight of 267.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate is sourced from PubChem (CID 169454209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).