3-fluoro-3-propan-2-ylazetidine

C6H12FN — CID 58222498

IUPAC3-fluoro-3-propan-2-ylazetidine
SMILESCC(C)C1(F)CNC1
InChIInChI=1S/C6H12FN/c1-5(2)6(7)3-8-4-6/h5,8H,3-4H2,1-2H3
InChIKeyYJGUQPCXKVQWQR-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.95
Rot. Bonds1

About 3-fluoro-3-propan-2-ylazetidine

3-fluoro-3-propan-2-ylazetidine (PubChem CID 58222498) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 3-fluoro-3-propan-2-ylazetidine.

Molecular Properties

Compound Name3-fluoro-3-propan-2-ylazetidine
PubChem CID58222498
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name3-fluoro-3-propan-2-ylazetidine
SMILESCC(C)C1(F)CNC1
InChIInChI=1S/C6H12FN/c1-5(2)6(7)3-8-4-6/h5,8H,3-4H2,1-2H3
InChIKeyYJGUQPCXKVQWQR-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-propan-2-ylazetidine?
The IUPAC name of 3-fluoro-3-propan-2-ylazetidine (CID 58222498) is 3-fluoro-3-propan-2-ylazetidine.
What is the SMILES notation for 3-fluoro-3-propan-2-ylazetidine?
The canonical SMILES for 3-fluoro-3-propan-2-ylazetidine is CC(C)C1(F)CNC1.
What is the InChIKey of 3-fluoro-3-propan-2-ylazetidine?
The InChIKey is YJGUQPCXKVQWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-5(2)6(7)3-8-4-6/h5,8H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-3-propan-2-ylazetidine?
3-fluoro-3-propan-2-ylazetidine has a molecular weight of 117.17 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-propan-2-ylazetidine is sourced from PubChem (CID 58222498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).