tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen

C12H18FNO3 — CID 158506120

IUPACtert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen
SMILESCOc1cccc(NC(=O)OC(C)(C)C)c1F.[H][H]
InChIInChI=1S/C12H16FNO3.H2/c1-12(2,3)17-11(15)14-8-6-5-7-9(16-4)10(8)13;/h5-7H,1-4H3,(H,14,15);1H
InChIKeyHKMGWUDIGMQYTH-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.43
Rot. Bonds2

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

tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen (PubChem CID 158506120) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen
PubChem CID158506120
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Nametert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen
SMILESCOc1cccc(NC(=O)OC(C)(C)C)c1F.[H][H]
InChIInChI=1S/C12H16FNO3.H2/c1-12(2,3)17-11(15)14-8-6-5-7-9(16-4)10(8)13;/h5-7H,1-4H3,(H,14,15);1H
InChIKeyHKMGWUDIGMQYTH-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
CID 10955644
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
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(2-fluoro-3-methoxyphenyl)carbamic acid
CID 66876605
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
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chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate
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tert-butyl N-(2-fluoro-3-formyl-4-methoxyphenyl)carbamate
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tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate
CID 133080787
N-(2-fluoro-3-methoxyphenyl)-4-methylbenzamide
CID 142437352
bicyclo[3.1.0]hexa-1(6),2,4-triene;tert-butyl N-(3-ethynyl-2-fluorophenyl)carbamate
CID 87649694
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
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tert-butyl N-(2-ethynyl-3-fluorophenyl)carbamate
CID 162422240

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen (CID 158506120) is tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen is COc1cccc(NC(=O)OC(C)(C)C)c1F.[H][H].
What is the InChIKey of tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen?
The InChIKey is HKMGWUDIGMQYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3.H2/c1-12(2,3)17-11(15)14-8-6-5-7-9(16-4)10(8)13;/h5-7H,1-4H3,(H,14,15);1H.
What are the key properties of tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen?
tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen has a molecular weight of 243.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen is sourced from PubChem (CID 158506120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).