3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine

C10H20FN — CID 134509559

IUPAC3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine
SMILESCCN1CC(F)(CC(C)(C)C)C1
InChIInChI=1S/C10H20FN/c1-5-12-7-10(11,8-12)6-9(2,3)4/h5-8H2,1-4H3
InChIKeyHXDFCSJYMXUWAP-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.47
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine

3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine (PubChem CID 134509559) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine
PubChem CID134509559
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine
SMILESCCN1CC(F)(CC(C)(C)C)C1
InChIInChI=1S/C10H20FN/c1-5-12-7-10(11,8-12)6-9(2,3)4/h5-8H2,1-4H3
InChIKeyHXDFCSJYMXUWAP-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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Related Compounds

3-Fluoro-1-(5-methylhexyl)azetidine
CID 57979613
1-(4,4-Dimethylpentyl)-3-fluoroazetidine
CID 57979627
1-(3,3-Dimethylbutyl)-3-fluoro-3-methylazetidine
CID 58530527
1-(3,3-Dimethylbutyl)-3-fluoroazetidine
CID 67977965
3-Fluoro-1-pentylazetidine
CID 89128137
3-Tert-butyl-3-fluoro-1-methylazetidine
CID 117671796
1-(3,3-Dimethylbutyl)-3,3-difluoroazetidine
CID 117704657
3-Fluoro-1-(4-methylpentyl)azetidine
CID 118000458
2-Tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 118441648
7-Fluoro-2-methyl-2-azaspiro[3.3]heptane
CID 118974389
6-Fluoro-2-methyl-2-azaspiro[3.3]heptane
CID 118974473
2-Tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane
CID 121308232

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine (CID 134509559) is 3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine is CCN1CC(F)(CC(C)(C)C)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine?
The InChIKey is HXDFCSJYMXUWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-5-12-7-10(11,8-12)6-9(2,3)4/h5-8H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine?
3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine 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 3-(2,2-dimethylpropyl)-1-ethyl-3-fluoroazetidine is sourced from PubChem (CID 134509559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).