tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate

C16H23F2NO3 — CID 142279103

IUPACtert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate
SMILESCCc1cc(F)cc(F)c1OC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H23F2NO3/c1-6-11-7-12(17)8-13(18)14(11)21-10(2)9-19-15(20)22-16(3,4)5/h7-8,10H,6,9H2,1-5H3,(H,19,20)
InChIKeyUHVIDEYDRKAHJI-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.82
Rot. Bonds5

About tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate

tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate (PubChem CID 142279103) has the molecular formula C16H23F2NO3 and a molecular weight of 315.36 g/mol. Its IUPAC name is tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate
PubChem CID142279103
Molecular FormulaC16H23F2NO3
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC Nametert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate
SMILESCCc1cc(F)cc(F)c1OC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H23F2NO3/c1-6-11-7-12(17)8-13(18)14(11)21-10(2)9-19-15(20)22-16(3,4)5/h7-8,10H,6,9H2,1-5H3,(H,19,20)
InChIKeyUHVIDEYDRKAHJI-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane
CID 142279124
tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate
CID 145230413
tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 133080612
tert-butyl N-[2-[[3-(aminomethyl)-5-fluoro-2-pyridinyl]oxy]propyl]carbamate
CID 175364559
tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate
CID 134814530
tert-butyl N-[2,3-dihydroxy-3-(2,4,6-trifluorophenyl)propyl]carbamate
CID 170831934
6-bromo-4-fluoro-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylic acid
CID 141048368
ethyl 5-[[(1R)-1-[3,5-difluoro-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 134220512
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
tert-butyl N-[(2S)-2-[4-fluoro-2-[[(2-hydroxycyclopentyl)amino]methyl]phenoxy]propyl]carbamate
CID 165168539
tert-butyl N-[2-[[N-[2-(3-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111682008
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate;hydrochloride
CID 76853764

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate (CID 142279103) is tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate is CCc1cc(F)cc(F)c1OC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate?
The InChIKey is UHVIDEYDRKAHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3/c1-6-11-7-12(17)8-13(18)14(11)21-10(2)9-19-15(20)22-16(3,4)5/h7-8,10H,6,9H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate?
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate has a molecular weight of 315.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate is sourced from PubChem (CID 142279103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).