tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride

C9H18ClFN2O2 — CID 118998436

IUPACtert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCC1(F)CNC1.Cl
InChIInChI=1S/C9H17FN2O2.ClH/c1-8(2,3)14-7(13)12-6-9(10)4-11-5-9;/h11H,4-6H2,1-3H3,(H,12,13);1H
InChIKeyMCWBATRVKUSBMH-UHFFFAOYSA-N
MW240.71 g/mol
LogP1.24
Rot. Bonds2

About tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride

tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride (PubChem CID 118998436) has the molecular formula C9H18ClFN2O2 and a molecular weight of 240.71 g/mol. Its IUPAC name is tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
PubChem CID118998436
Molecular FormulaC9H18ClFN2O2
Molecular Weight240.71 g/mol
Exact Mass240.10
IUPAC Nametert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCC1(F)CNC1.Cl
InChIInChI=1S/C9H17FN2O2.ClH/c1-8(2,3)14-7(13)12-6-9(10)4-11-5-9;/h11H,4-6H2,1-3H3,(H,12,13);1H
InChIKeyMCWBATRVKUSBMH-UHFFFAOYSA-N
XLogP1.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)methyl]carbamate
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tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
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tert-butyl N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]carbamate
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tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate
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tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
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tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate
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tert-butyl N-[[1-fluoro-3-(prop-2-enoylamino)cyclobutyl]methyl]carbamate
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tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate
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tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
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CID 91647554

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride (CID 118998436) is tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NCC1(F)CNC1.Cl.
What is the InChIKey of tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride?
The InChIKey is MCWBATRVKUSBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2.ClH/c1-8(2,3)14-7(13)12-6-9(10)4-11-5-9;/h11H,4-6H2,1-3H3,(H,12,13);1H.
What are the key properties of tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride?
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride has a molecular weight of 240.71 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride is sourced from PubChem (CID 118998436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).