3-(fluoromethylidene)-1-methylazetidine

C5H8FN — CID 178087846

IUPAC3-(fluoromethylidene)-1-methylazetidine
SMILESCN1CC(=CF)C1
InChIInChI=1S/C5H8FN/c1-7-3-5(2-6)4-7/h2H,3-4H2,1H3
InChIKeyHNSPRFGSBDUSOB-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.79
Rot. Bonds

About 3-(fluoromethylidene)-1-methylazetidine

3-(fluoromethylidene)-1-methylazetidine (PubChem CID 178087846) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 3-(fluoromethylidene)-1-methylazetidine.

Molecular Properties

Compound Name3-(fluoromethylidene)-1-methylazetidine
PubChem CID178087846
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name3-(fluoromethylidene)-1-methylazetidine
SMILESCN1CC(=CF)C1
InChIInChI=1S/C5H8FN/c1-7-3-5(2-6)4-7/h2H,3-4H2,1H3
InChIKeyHNSPRFGSBDUSOB-UHFFFAOYSA-N
XLogP0.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethylidene)-1-methylazetidine?
The IUPAC name of 3-(fluoromethylidene)-1-methylazetidine (CID 178087846) is 3-(fluoromethylidene)-1-methylazetidine.
What is the SMILES notation for 3-(fluoromethylidene)-1-methylazetidine?
The canonical SMILES for 3-(fluoromethylidene)-1-methylazetidine is CN1CC(=CF)C1.
What is the InChIKey of 3-(fluoromethylidene)-1-methylazetidine?
The InChIKey is HNSPRFGSBDUSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c1-7-3-5(2-6)4-7/h2H,3-4H2,1H3.
What are the key properties of 3-(fluoromethylidene)-1-methylazetidine?
3-(fluoromethylidene)-1-methylazetidine has a molecular weight of 101.12 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethylidene)-1-methylazetidine is sourced from PubChem (CID 178087846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).