3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine

C9H16FNO — CID 112563547

IUPAC3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine
SMILESFC1(CCC2CCCO2)CNC1
InChIInChI=1S/C9H16FNO/c10-9(6-11-7-9)4-3-8-2-1-5-12-8/h8,11H,1-7H2
InChIKeyVBYDHAFYNRCEHA-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.26
Rot. Bonds3

About 3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine

3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine (PubChem CID 112563547) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine.

Molecular Properties

Compound Name3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine
PubChem CID112563547
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine
SMILESFC1(CCC2CCCO2)CNC1
InChIInChI=1S/C9H16FNO/c10-9(6-11-7-9)4-3-8-2-1-5-12-8/h8,11H,1-7H2
InChIKeyVBYDHAFYNRCEHA-UHFFFAOYSA-N
XLogP1.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine?
The IUPAC name of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine (CID 112563547) is 3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine.
What is the SMILES notation for 3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine?
The canonical SMILES for 3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine is FC1(CCC2CCCO2)CNC1.
What is the InChIKey of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine?
The InChIKey is VBYDHAFYNRCEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-9(6-11-7-9)4-3-8-2-1-5-12-8/h8,11H,1-7H2.
What are the key properties of 3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine?
3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine has a molecular weight of 173.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[2-(oxolan-2-yl)ethyl]azetidine is sourced from PubChem (CID 112563547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).