1-(2-fluoroethyl)-3-methylazetidine

C6H12FN — CID 88589106

IUPAC1-(2-fluoroethyl)-3-methylazetidine
SMILESCC1CN(CCF)C1
InChIInChI=1S/C6H12FN/c1-6-4-8(5-6)3-2-7/h6H,2-5H2,1H3
InChIKeySTVVCGPOCRJDHM-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.91
Rot. Bonds2

About 1-(2-fluoroethyl)-3-methylazetidine

1-(2-fluoroethyl)-3-methylazetidine (PubChem CID 88589106) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-methylazetidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-methylazetidine
PubChem CID88589106
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name1-(2-fluoroethyl)-3-methylazetidine
SMILESCC1CN(CCF)C1
InChIInChI=1S/C6H12FN/c1-6-4-8(5-6)3-2-7/h6H,2-5H2,1H3
InChIKeySTVVCGPOCRJDHM-UHFFFAOYSA-N
XLogP0.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 1-(2-fluoroethyl)-3-methylazetidine?
The IUPAC name of 1-(2-fluoroethyl)-3-methylazetidine (CID 88589106) is 1-(2-fluoroethyl)-3-methylazetidine.
What is the SMILES notation for 1-(2-fluoroethyl)-3-methylazetidine?
The canonical SMILES for 1-(2-fluoroethyl)-3-methylazetidine is CC1CN(CCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)-3-methylazetidine?
The InChIKey is STVVCGPOCRJDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-6-4-8(5-6)3-2-7/h6H,2-5H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-methylazetidine?
1-(2-fluoroethyl)-3-methylazetidine has a molecular weight of 117.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-methylazetidine is sourced from PubChem (CID 88589106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).