3-fluoro-3-propylazetidine

C6H12FN — CID 112563446

IUPAC3-fluoro-3-propylazetidine
SMILESCCCC1(F)CNC1
InChIInChI=1S/C6H12FN/c1-2-3-6(7)4-8-5-6/h8H,2-5H2,1H3
InChIKeyWCTSTOPGSLZEND-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.10
Rot. Bonds2

About 3-fluoro-3-propylazetidine

3-fluoro-3-propylazetidine (PubChem CID 112563446) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 3-fluoro-3-propylazetidine.

Molecular Properties

Compound Name3-fluoro-3-propylazetidine
PubChem CID112563446
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name3-fluoro-3-propylazetidine
SMILESCCCC1(F)CNC1
InChIInChI=1S/C6H12FN/c1-2-3-6(7)4-8-5-6/h8H,2-5H2,1H3
InChIKeyWCTSTOPGSLZEND-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-propylazetidine?
The IUPAC name of 3-fluoro-3-propylazetidine (CID 112563446) is 3-fluoro-3-propylazetidine.
What is the SMILES notation for 3-fluoro-3-propylazetidine?
The canonical SMILES for 3-fluoro-3-propylazetidine is CCCC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-propylazetidine?
The InChIKey is WCTSTOPGSLZEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-2-3-6(7)4-8-5-6/h8H,2-5H2,1H3.
What are the key properties of 3-fluoro-3-propylazetidine?
3-fluoro-3-propylazetidine has a molecular weight of 117.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-propylazetidine is sourced from PubChem (CID 112563446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).