tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate

C9H17FN2O2 — CID 135392464

IUPACtert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CF)CNC1
InChIInChI=1S/C9H17FN2O2/c1-8(2,3)14-7(13)12-9(4-10)5-11-6-9/h11H,4-6H2,1-3H3,(H,12,13)
InChIKeyORZOGCSLTFDKEB-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.82
Rot. Bonds2

About tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate

tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate (PubChem CID 135392464) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate
PubChem CID135392464
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Nametert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CF)CNC1
InChIInChI=1S/C9H17FN2O2/c1-8(2,3)14-7(13)12-9(4-10)5-11-6-9/h11H,4-6H2,1-3H3,(H,12,13)
InChIKeyORZOGCSLTFDKEB-UHFFFAOYSA-N
XLogP0.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate
CID 170207829
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
CID 115071653
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
CID 167738112
tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
CID 115071660
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436
tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate
CID 68861367
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 167720931
tert-butyl N-[1-[dideuterio(iodo)methyl]cyclopropyl]carbamate
CID 175970767
tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate
CID 151052827
tert-butyl N-[(3aR,6aS)-3a-fluoro-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6a-yl]carbamate;hydrochloride
CID 146155252

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate (CID 135392464) is tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1(CF)CNC1.
What is the InChIKey of tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate?
The InChIKey is ORZOGCSLTFDKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-8(2,3)14-7(13)12-9(4-10)5-11-6-9/h11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate?
tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate has a molecular weight of 204.24 g/mol, XLogP of 0.82, 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-(fluoromethyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 135392464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).