2-(1-fluoroethyl)-3-methylazetidin-3-ol

C6H12FNO — CID 178087906

IUPAC2-(1-fluoroethyl)-3-methylazetidin-3-ol
SMILESCC(F)C1NCC1(C)O
InChIInChI=1S/C6H12FNO/c1-4(7)5-6(2,9)3-8-5/h4-5,8-9H,3H2,1-2H3
InChIKeyVOXCEDUFYKIILC-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.07
Rot. Bonds1

About 2-(1-fluoroethyl)-3-methylazetidin-3-ol

2-(1-fluoroethyl)-3-methylazetidin-3-ol (PubChem CID 178087906) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name2-(1-fluoroethyl)-3-methylazetidin-3-ol
PubChem CID178087906
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-(1-fluoroethyl)-3-methylazetidin-3-ol
SMILESCC(F)C1NCC1(C)O
InChIInChI=1S/C6H12FNO/c1-4(7)5-6(2,9)3-8-5/h4-5,8-9H,3H2,1-2H3
InChIKeyVOXCEDUFYKIILC-UHFFFAOYSA-N
XLogP0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-3-methylazetidin-3-ol?
The IUPAC name of 2-(1-fluoroethyl)-3-methylazetidin-3-ol (CID 178087906) is 2-(1-fluoroethyl)-3-methylazetidin-3-ol.
What is the SMILES notation for 2-(1-fluoroethyl)-3-methylazetidin-3-ol?
The canonical SMILES for 2-(1-fluoroethyl)-3-methylazetidin-3-ol is CC(F)C1NCC1(C)O.
What is the InChIKey of 2-(1-fluoroethyl)-3-methylazetidin-3-ol?
The InChIKey is VOXCEDUFYKIILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-4(7)5-6(2,9)3-8-5/h4-5,8-9H,3H2,1-2H3.
What are the key properties of 2-(1-fluoroethyl)-3-methylazetidin-3-ol?
2-(1-fluoroethyl)-3-methylazetidin-3-ol has a molecular weight of 133.17 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-3-methylazetidin-3-ol is sourced from PubChem (CID 178087906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).