tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate

C17H26FNO3 — CID 145230413

IUPACtert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Oc1ccc(F)cc1C(C)C
InChIInChI=1S/C17H26FNO3/c1-11(2)14-9-13(18)7-8-15(14)21-12(3)10-19-16(20)22-17(4,5)6/h7-9,11-12H,10H2,1-6H3,(H,19,20)
InChIKeyXOGPBGADKYFTEQ-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.24
Rot. Bonds5

About tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate

tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate (PubChem CID 145230413) has the molecular formula C17H26FNO3 and a molecular weight of 311.40 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate
PubChem CID145230413
Molecular FormulaC17H26FNO3
Molecular Weight311.40 g/mol
Exact Mass311.19
IUPAC Nametert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Oc1ccc(F)cc1C(C)C
InChIInChI=1S/C17H26FNO3/c1-11(2)14-9-13(18)7-8-15(14)21-12(3)10-19-16(20)22-17(4,5)6/h7-9,11-12H,10H2,1-6H3,(H,19,20)
InChIKeyXOGPBGADKYFTEQ-UHFFFAOYSA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 133080612
tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate
CID 134814530
tert-butyl N-[(2S)-2-[4-fluoro-2-[[(2-hydroxycyclopentyl)amino]methyl]phenoxy]propyl]carbamate
CID 165168539
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate
CID 142279103
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane
CID 142279124
tert-butyl N-[3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 146196773
tert-butyl N-[3-(2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831686
tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate
CID 107251325
tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane
CID 176700845
tert-butyl N-[3-(5-fluoro-2-nitrophenoxy)butyl]carbamate
CID 58413304
tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
CID 103388683
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-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate (CID 145230413) is tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)Oc1ccc(F)cc1C(C)C.
What is the InChIKey of tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate?
The InChIKey is XOGPBGADKYFTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO3/c1-11(2)14-9-13(18)7-8-15(14)21-12(3)10-19-16(20)22-17(4,5)6/h7-9,11-12H,10H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate?
tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate has a molecular weight of 311.40 g/mol, XLogP of 4.24, 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-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate is sourced from PubChem (CID 145230413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).