tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate

C12H16FNO3 — CID 121232357

IUPACtert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
SMILESCOc1c(F)cccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H16FNO3/c1-12(2,3)17-11(15)14-9-7-5-6-8(13)10(9)16-4/h5-7H,1-4H3,(H,14,15)
InChIKeyJCWWJKOSWLKZEK-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.18
Rot. Bonds2

About tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate

tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate (PubChem CID 121232357) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
PubChem CID121232357
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Nametert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
SMILESCOc1c(F)cccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H16FNO3/c1-12(2,3)17-11(15)14-9-7-5-6-8(13)10(9)16-4/h5-7H,1-4H3,(H,14,15)
InChIKeyJCWWJKOSWLKZEK-UHFFFAOYSA-N
XLogP3.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-ethynyl-3-fluorophenyl)carbamate
CID 162422240
tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen
CID 158506120
tert-butyl N-[2-(chloromethyl)-3-fluorophenyl]carbamate
CID 117236552
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate
CID 130882959
tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate
CID 167266134
tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
CID 10955644
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
CID 10760197
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(1-benzothiophen-4-yl)carbamate
CID 18542532
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate (CID 121232357) is tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate is COc1c(F)cccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate?
The InChIKey is JCWWJKOSWLKZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(2,3)17-11(15)14-9-7-5-6-8(13)10(9)16-4/h5-7H,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate?
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate has a molecular weight of 241.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate is sourced from PubChem (CID 121232357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).