methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate

C10H12FNO3 — CID 68503523

IUPACmethyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(F)cc1O
InChIInChI=1S/C10H12FNO3/c1-15-10(14)12-5-4-7-2-3-8(11)6-9(7)13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyPSZYUDQMVYNIBA-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.43
Rot. Bonds3

About methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate

methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate (PubChem CID 68503523) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate
PubChem CID68503523
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(F)cc1O
InChIInChI=1S/C10H12FNO3/c1-15-10(14)12-5-4-7-2-3-8(11)6-9(7)13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyPSZYUDQMVYNIBA-UHFFFAOYSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate (CID 68503523) is methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate is COC(=O)NCCc1ccc(F)cc1O.
What is the InChIKey of methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate?
The InChIKey is PSZYUDQMVYNIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-15-10(14)12-5-4-7-2-3-8(11)6-9(7)13/h2-3,6,13H,4-5H2,1H3,(H,12,14).
What are the key properties of methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate?
methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate has a molecular weight of 213.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-fluoro-2-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 68503523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).