1-(3,3-dimethylbutyl)-3-fluoroazetidine

C9H18FN — CID 67977965

IUPAC1-(3,3-dimethylbutyl)-3-fluoroazetidine
SMILESCC(C)(C)CCN1CC(F)C1
InChIInChI=1S/C9H18FN/c1-9(2,3)4-5-11-6-8(10)7-11/h8H,4-7H2,1-3H3
InChIKeyZIYKHSRMACWHLC-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-3-fluoroazetidine

1-(3,3-dimethylbutyl)-3-fluoroazetidine (PubChem CID 67977965) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3-fluoroazetidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3-fluoroazetidine
PubChem CID67977965
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-(3,3-dimethylbutyl)-3-fluoroazetidine
SMILESCC(C)(C)CCN1CC(F)C1
InChIInChI=1S/C9H18FN/c1-9(2,3)4-5-11-6-8(10)7-11/h8H,4-7H2,1-3H3
InChIKeyZIYKHSRMACWHLC-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
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-fluoroazetidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-3-fluoroazetidine (CID 67977965) is 1-(3,3-dimethylbutyl)-3-fluoroazetidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3-fluoroazetidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3-fluoroazetidine is CC(C)(C)CCN1CC(F)C1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3-fluoroazetidine?
The InChIKey is ZIYKHSRMACWHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(2,3)4-5-11-6-8(10)7-11/h8H,4-7H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3-fluoroazetidine?
1-(3,3-dimethylbutyl)-3-fluoroazetidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 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-fluoroazetidine is sourced from PubChem (CID 67977965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).