3-fluoro-3-(oxolan-2-ylmethyl)azetidine

C8H14FNO — CID 122239828

IUPAC3-fluoro-3-(oxolan-2-ylmethyl)azetidine
SMILESFC1(CC2CCCO2)CNC1
InChIInChI=1S/C8H14FNO/c9-8(5-10-6-8)4-7-2-1-3-11-7/h7,10H,1-6H2
InChIKeyOGRUMCPIOVBLCR-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.87
Rot. Bonds2

About 3-fluoro-3-(oxolan-2-ylmethyl)azetidine

3-fluoro-3-(oxolan-2-ylmethyl)azetidine (PubChem CID 122239828) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-fluoro-3-(oxolan-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(oxolan-2-ylmethyl)azetidine
PubChem CID122239828
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-fluoro-3-(oxolan-2-ylmethyl)azetidine
SMILESFC1(CC2CCCO2)CNC1
InChIInChI=1S/C8H14FNO/c9-8(5-10-6-8)4-7-2-1-3-11-7/h7,10H,1-6H2
InChIKeyOGRUMCPIOVBLCR-UHFFFAOYSA-N
XLogP0.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(oxolan-2-ylmethyl)azetidine?
The IUPAC name of 3-fluoro-3-(oxolan-2-ylmethyl)azetidine (CID 122239828) is 3-fluoro-3-(oxolan-2-ylmethyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(oxolan-2-ylmethyl)azetidine?
The canonical SMILES for 3-fluoro-3-(oxolan-2-ylmethyl)azetidine is FC1(CC2CCCO2)CNC1.
What is the InChIKey of 3-fluoro-3-(oxolan-2-ylmethyl)azetidine?
The InChIKey is OGRUMCPIOVBLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-8(5-10-6-8)4-7-2-1-3-11-7/h7,10H,1-6H2.
What are the key properties of 3-fluoro-3-(oxolan-2-ylmethyl)azetidine?
3-fluoro-3-(oxolan-2-ylmethyl)azetidine has a molecular weight of 159.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxolan-2-ylmethyl)azetidine is sourced from PubChem (CID 122239828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).