1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine

C10H20FN — CID 58530527

IUPAC1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine
SMILESCC(C)(C)CCN1CC(C)(F)C1
InChIInChI=1S/C10H20FN/c1-9(2,3)5-6-12-7-10(4,11)8-12/h5-8H2,1-4H3
InChIKeyQPFNKEXVXWREMV-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.47
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine

1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine (PubChem CID 58530527) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine
PubChem CID58530527
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine
SMILESCC(C)(C)CCN1CC(C)(F)C1
InChIInChI=1S/C10H20FN/c1-9(2,3)5-6-12-7-10(4,11)8-12/h5-8H2,1-4H3
InChIKeyQPFNKEXVXWREMV-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine (CID 58530527) is 1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine is CC(C)(C)CCN1CC(C)(F)C1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine?
The InChIKey is QPFNKEXVXWREMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-9(2,3)5-6-12-7-10(4,11)8-12/h5-8H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine?
1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine has a molecular weight of 173.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3-fluoro-3-methylazetidine is sourced from PubChem (CID 58530527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).