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

C18H28F3NO3 — CID 142279124

IUPACtert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane
SMILESCCF.CCc1cc(F)cc(F)c1OC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H23F2NO3.C2H5F/c1-6-11-7-12(17)8-13(18)14(11)21-10(2)9-19-15(20)22-16(3,4)5;1-2-3/h7-8,10H,6,9H2,1-5H3,(H,19,20);2H2,1H3
InChIKeyFMIITIVKMVHYBE-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.80
Rot. Bonds5

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

tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane (PubChem CID 142279124) has the molecular formula C18H28F3NO3 and a molecular weight of 363.42 g/mol. Its IUPAC name is tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane.

Molecular Properties

Compound Nametert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane
PubChem CID142279124
Molecular FormulaC18H28F3NO3
Molecular Weight363.42 g/mol
Exact Mass363.20
IUPAC Nametert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane
SMILESCCF.CCc1cc(F)cc(F)c1OC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H23F2NO3.C2H5F/c1-6-11-7-12(17)8-13(18)14(11)21-10(2)9-19-15(20)22-16(3,4)5;1-2-3/h7-8,10H,6,9H2,1-5H3,(H,19,20);2H2,1H3
InChIKeyFMIITIVKMVHYBE-UHFFFAOYSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.80
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
CID 142279103
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;fluoroethane?
The IUPAC name of tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane (CID 142279124) is tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane.
What is the SMILES notation for tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane?
The canonical SMILES for tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane is CCF.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;fluoroethane?
The InChIKey is FMIITIVKMVHYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3.C2H5F/c1-6-11-7-12(17)8-13(18)14(11)21-10(2)9-19-15(20)22-16(3,4)5;1-2-3/h7-8,10H,6,9H2,1-5H3,(H,19,20);2H2,1H3.
What are the key properties of tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane?
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane has a molecular weight of 363.42 g/mol, XLogP of 4.80, 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;fluoroethane is sourced from PubChem (CID 142279124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).