1-tert-butyl-3-(1-fluoroethylidene)azetidine

C9H16FN — CID 157411999

IUPAC1-tert-butyl-3-(1-fluoroethylidene)azetidine
SMILESCC(F)=C1CN(C(C)(C)C)C1
InChIInChI=1S/C9H16FN/c1-7(10)8-5-11(6-8)9(2,3)4/h5-6H2,1-4H3
InChIKeyRDOKWZHYSDOKMF-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds

About 1-tert-butyl-3-(1-fluoroethylidene)azetidine

1-tert-butyl-3-(1-fluoroethylidene)azetidine (PubChem CID 157411999) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-fluoroethylidene)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(1-fluoroethylidene)azetidine
PubChem CID157411999
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-tert-butyl-3-(1-fluoroethylidene)azetidine
SMILESCC(F)=C1CN(C(C)(C)C)C1
InChIInChI=1S/C9H16FN/c1-7(10)8-5-11(6-8)9(2,3)4/h5-6H2,1-4H3
InChIKeyRDOKWZHYSDOKMF-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.34
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-(1-fluoroethylidene)azetidine?
The IUPAC name of 1-tert-butyl-3-(1-fluoroethylidene)azetidine (CID 157411999) is 1-tert-butyl-3-(1-fluoroethylidene)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(1-fluoroethylidene)azetidine?
The canonical SMILES for 1-tert-butyl-3-(1-fluoroethylidene)azetidine is CC(F)=C1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(1-fluoroethylidene)azetidine?
The InChIKey is RDOKWZHYSDOKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(10)8-5-11(6-8)9(2,3)4/h5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(1-fluoroethylidene)azetidine?
1-tert-butyl-3-(1-fluoroethylidene)azetidine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 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-(1-fluoroethylidene)azetidine is sourced from PubChem (CID 157411999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).