2-(2-fluoropropan-2-yl)azetidine

C6H12FN — CID 105427113

IUPAC2-(2-fluoropropan-2-yl)azetidine
SMILESCC(C)(F)C1CCN1
InChIInChI=1S/C6H12FN/c1-6(2,7)5-3-4-8-5/h5,8H,3-4H2,1-2H3
InChIKeyGREWDVRWUMSCIZ-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.10
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)azetidine

2-(2-fluoropropan-2-yl)azetidine (PubChem CID 105427113) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)azetidine.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)azetidine
PubChem CID105427113
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name2-(2-fluoropropan-2-yl)azetidine
SMILESCC(C)(F)C1CCN1
InChIInChI=1S/C6H12FN/c1-6(2,7)5-3-4-8-5/h5,8H,3-4H2,1-2H3
InChIKeyGREWDVRWUMSCIZ-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoropropan-2-yl)-4-methylpiperidine
CID 171096170
2-(trifluoromethyl)azetidine;hydrochloride
CID 119031729
2-[(2R)-azetidin-2-yl]propan-2-ol
CID 135393026
(2S)-4-methyl-2-(trifluoromethyl)piperidine
CID 161454628
2-tert-butylpyrrolidine;methane
CID 174978961
2-[cyclopentyl(difluoro)methyl]azetidine
CID 105436123
5-tert-butyl-1,4-diazepane
CID 167270425
2-(1-cyclopentyl-1-fluoroethyl)piperidine
CID 105452461
4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol
CID 105449092
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
2-tert-butyl-3-(trifluoromethyl)pyrrolidine
CID 176601473
3-tert-butylmorpholine;methanamine
CID 144581691

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)azetidine?
The IUPAC name of 2-(2-fluoropropan-2-yl)azetidine (CID 105427113) is 2-(2-fluoropropan-2-yl)azetidine.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)azetidine?
The canonical SMILES for 2-(2-fluoropropan-2-yl)azetidine is CC(C)(F)C1CCN1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)azetidine?
The InChIKey is GREWDVRWUMSCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-6(2,7)5-3-4-8-5/h5,8H,3-4H2,1-2H3.
What are the key properties of 2-(2-fluoropropan-2-yl)azetidine?
2-(2-fluoropropan-2-yl)azetidine has a molecular weight of 117.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)azetidine is sourced from PubChem (CID 105427113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).