tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate

C14H19F2NO3 — CID 146282121

IUPACtert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
SMILESCN(CCOc1cc(F)cc(F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19F2NO3/c1-14(2,3)20-13(18)17(4)5-6-19-12-8-10(15)7-11(16)9-12/h7-9H,5-6H2,1-4H3
InChIKeyNJLRLXUKTTVUMQ-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.21
Rot. Bonds4

About tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate

tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate (PubChem CID 146282121) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
PubChem CID146282121
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Nametert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
SMILESCN(CCOc1cc(F)cc(F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19F2NO3/c1-14(2,3)20-13(18)17(4)5-6-19-12-8-10(15)7-11(16)9-12/h7-9H,5-6H2,1-4H3
InChIKeyNJLRLXUKTTVUMQ-UHFFFAOYSA-N
XLogP3.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate
CID 139317833
tert-butyl N-[2-(3-bromo-5-chlorophenoxy)ethyl]-N-methylcarbamate
CID 123463013
tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate
CID 58790256
tert-butyl N-[2-[4-(chloromethyl)phenoxy]ethyl]-N-methylcarbamate
CID 58870313
tert-butyl N-[2-(2,5-difluoro-4-formylphenoxy)ethyl]-N-methylcarbamate
CID 157021850
tert-butyl N-methyl-N-[2-[4-[3-(trifluoromethyl)diaziridin-3-yl]phenoxy]ethyl]carbamate
CID 166148008
3-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]benzoic acid
CID 166174882
tert-butyl N-[3-(4-formylphenoxy)propyl]-N-methylcarbamate
CID 157022008
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-[2-[4-bromo-2-(trifluoromethyl)phenoxy]ethyl]-N-methylcarbamate
CID 67294198
3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide
CID 176703397
N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
CID 62785960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate (CID 146282121) is tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate is CN(CCOc1cc(F)cc(F)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate?
The InChIKey is NJLRLXUKTTVUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-14(2,3)20-13(18)17(4)5-6-19-12-8-10(15)7-11(16)9-12/h7-9H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate has a molecular weight of 287.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate is sourced from PubChem (CID 146282121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).