methyl N-(3-fluoro-4-hydroxyphenyl)carbamate

C8H8FNO3 — CID 64780328

IUPACmethyl N-(3-fluoro-4-hydroxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C8H8FNO3/c1-13-8(12)10-5-2-3-7(11)6(9)4-5/h2-4,11H,1H3,(H,10,12)
InChIKeyGSKKPISLGJWECR-UHFFFAOYSA-N
MW185.15 g/mol
LogP1.71
Rot. Bonds1

About methyl N-(3-fluoro-4-hydroxyphenyl)carbamate

methyl N-(3-fluoro-4-hydroxyphenyl)carbamate (PubChem CID 64780328) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is methyl N-(3-fluoro-4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-fluoro-4-hydroxyphenyl)carbamate
PubChem CID64780328
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Namemethyl N-(3-fluoro-4-hydroxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C8H8FNO3/c1-13-8(12)10-5-2-3-7(11)6(9)4-5/h2-4,11H,1H3,(H,10,12)
InChIKeyGSKKPISLGJWECR-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
methyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 18932212
methyl N-(4-bromo-3-fluorophenyl)carbamate;molecular iodine
CID 159991921
methyl N-(3-bromo-4-fluorophenyl)carbamate
CID 115661421
3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea
CID 79154742
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
dimethyl (E)-2-(3-fluoro-4-hydroxyanilino)but-2-enedioate
CID 168566394
1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64781275
ethane;methyl N-[4-fluoro-3-(hydroxyamino)phenyl]carbamate
CID 143021974
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64782791

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-fluoro-4-hydroxyphenyl)carbamate?
The IUPAC name of methyl N-(3-fluoro-4-hydroxyphenyl)carbamate (CID 64780328) is methyl N-(3-fluoro-4-hydroxyphenyl)carbamate.
What is the SMILES notation for methyl N-(3-fluoro-4-hydroxyphenyl)carbamate?
The canonical SMILES for methyl N-(3-fluoro-4-hydroxyphenyl)carbamate is COC(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of methyl N-(3-fluoro-4-hydroxyphenyl)carbamate?
The InChIKey is GSKKPISLGJWECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-13-8(12)10-5-2-3-7(11)6(9)4-5/h2-4,11H,1H3,(H,10,12).
What are the key properties of methyl N-(3-fluoro-4-hydroxyphenyl)carbamate?
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate has a molecular weight of 185.15 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-fluoro-4-hydroxyphenyl)carbamate is sourced from PubChem (CID 64780328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).