tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate

C11H14FNO3 — CID 87378206

IUPACtert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)N(F)c1ccc(O)cc1
InChIInChI=1S/C11H14FNO3/c1-11(2,3)16-10(15)13(12)8-4-6-9(14)7-5-8/h4-7,14H,1-3H3
InChIKeyPTJPFIQWGKVJCN-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.02
Rot. Bonds1

About tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate

tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate (PubChem CID 87378206) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate
PubChem CID87378206
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Nametert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)N(F)c1ccc(O)cc1
InChIInChI=1S/C11H14FNO3/c1-11(2,3)16-10(15)13(12)8-4-6-9(14)7-5-8/h4-7,14H,1-3H3
InChIKeyPTJPFIQWGKVJCN-UHFFFAOYSA-N
XLogP3.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-hydroxyphenyl)-N-prop-2-enylcarbamate
CID 68626406
tert-butyl N-[4-(dimethylamino)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 134129739
tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
CID 151301292
tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate
CID 107445236
tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055
tert-butyl N-phenyl-N-(trifluoromethyl)carbamate
CID 69487497
tert-butyl N-[4-(4-methyl-N-[4-[4-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]phenyl]anilino)phenyl]-N-phenylcarbamate
CID 122607216
tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 174502211
tert-butyl N-bromo-N-(4-chlorophenyl)carbamate
CID 87186979
tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate
CID 58261829
tert-butyl N-amino-N-[3-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]carbamate
CID 70671905
tert-butyl (4-hydroxyphenyl) carbonate
CID 22345869

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate?
The IUPAC name of tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate (CID 87378206) is tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate is CC(C)(C)OC(=O)N(F)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate?
The InChIKey is PTJPFIQWGKVJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-11(2,3)16-10(15)13(12)8-4-6-9(14)7-5-8/h4-7,14H,1-3H3.
What are the key properties of tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate?
tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate has a molecular weight of 227.24 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-fluoro-N-(4-hydroxyphenyl)carbamate is sourced from PubChem (CID 87378206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).