1-tert-butyl-3-fluoro-3-methylazetidine

C8H16FN — CID 58109902

IUPAC1-tert-butyl-3-fluoro-3-methylazetidine
SMILESCC1(F)CN(C(C)(C)C)C1
InChIInChI=1S/C8H16FN/c1-7(2,3)10-5-8(4,9)6-10/h5-6H2,1-4H3
InChIKeyNMINYYCFIBEPSR-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.83
Rot. Bonds

About 1-tert-butyl-3-fluoro-3-methylazetidine

1-tert-butyl-3-fluoro-3-methylazetidine (PubChem CID 58109902) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 1-tert-butyl-3-fluoro-3-methylazetidine.

Molecular Properties

Compound Name1-tert-butyl-3-fluoro-3-methylazetidine
PubChem CID58109902
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name1-tert-butyl-3-fluoro-3-methylazetidine
SMILESCC1(F)CN(C(C)(C)C)C1
InChIInChI=1S/C8H16FN/c1-7(2,3)10-5-8(4,9)6-10/h5-6H2,1-4H3
InChIKeyNMINYYCFIBEPSR-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-fluoro-3-methylazetidine?
The IUPAC name of 1-tert-butyl-3-fluoro-3-methylazetidine (CID 58109902) is 1-tert-butyl-3-fluoro-3-methylazetidine.
What is the SMILES notation for 1-tert-butyl-3-fluoro-3-methylazetidine?
The canonical SMILES for 1-tert-butyl-3-fluoro-3-methylazetidine is CC1(F)CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-fluoro-3-methylazetidine?
The InChIKey is NMINYYCFIBEPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2,3)10-5-8(4,9)6-10/h5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-3-fluoro-3-methylazetidine?
1-tert-butyl-3-fluoro-3-methylazetidine has a molecular weight of 145.22 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-fluoro-3-methylazetidine is sourced from PubChem (CID 58109902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).