3-(1-fluoroethyl)-1-methylazetidine

C6H12FN — CID 158009968

IUPAC3-(1-fluoroethyl)-1-methylazetidine
SMILESCC(F)C1CN(C)C1
InChIInChI=1S/C6H12FN/c1-5(7)6-3-8(2)4-6/h5-6H,3-4H2,1-2H3
InChIKeyCNQWEZIACTWERB-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.91
Rot. Bonds1

About 3-(1-fluoroethyl)-1-methylazetidine

3-(1-fluoroethyl)-1-methylazetidine (PubChem CID 158009968) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-1-methylazetidine.

Molecular Properties

Compound Name3-(1-fluoroethyl)-1-methylazetidine
PubChem CID158009968
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name3-(1-fluoroethyl)-1-methylazetidine
SMILESCC(F)C1CN(C)C1
InChIInChI=1S/C6H12FN/c1-5(7)6-3-8(2)4-6/h5-6H,3-4H2,1-2H3
InChIKeyCNQWEZIACTWERB-UHFFFAOYSA-N
XLogP0.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-1-methylazetidine?
The IUPAC name of 3-(1-fluoroethyl)-1-methylazetidine (CID 158009968) is 3-(1-fluoroethyl)-1-methylazetidine.
What is the SMILES notation for 3-(1-fluoroethyl)-1-methylazetidine?
The canonical SMILES for 3-(1-fluoroethyl)-1-methylazetidine is CC(F)C1CN(C)C1.
What is the InChIKey of 3-(1-fluoroethyl)-1-methylazetidine?
The InChIKey is CNQWEZIACTWERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-5(7)6-3-8(2)4-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-(1-fluoroethyl)-1-methylazetidine?
3-(1-fluoroethyl)-1-methylazetidine has a molecular weight of 117.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-1-methylazetidine is sourced from PubChem (CID 158009968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).