tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate

C15H20FNO4 — CID 142473011

IUPACtert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C15H20FNO4/c1-15(2,3)21-14(18)17-5-4-10-8-11(16)13-12(9-10)19-6-7-20-13/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyGBGTXABAUWFNGZ-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.66
Rot. Bonds3

About tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate

tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate (PubChem CID 142473011) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate
PubChem CID142473011
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Nametert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C15H20FNO4/c1-15(2,3)21-14(18)17-5-4-10-8-11(16)13-12(9-10)19-6-7-20-13/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyGBGTXABAUWFNGZ-UHFFFAOYSA-N
XLogP2.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
CID 121396817
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117323267
2,4-dichloro-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-fluorobenzamide
CID 24564127
tert-butyl N-[3-[[N'-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-ethylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886442
tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate
CID 86697210
N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrimidin-4-amine
CID 175954486
tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate
CID 131977989
tert-butyl N-[2-[3-fluoro-4-(3-iodopropoxy)phenyl]ethyl]carbamate
CID 175150532
tert-butyl N-[amino-[N-ethyl-2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]anilino]methylidene]carbamate
CID 57165852
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate (CID 142473011) is tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cc(F)c2c(c1)OCCO2.
What is the InChIKey of tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate?
The InChIKey is GBGTXABAUWFNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-15(2,3)21-14(18)17-5-4-10-8-11(16)13-12(9-10)19-6-7-20-13/h8-9H,4-7H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate?
tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate has a molecular weight of 297.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate is sourced from PubChem (CID 142473011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).