ethane;1-ethyl-3-fluoroazetidine

C7H16FN — CID 145180834

IUPACethane;1-ethyl-3-fluoroazetidine
SMILESCC.CCN1CC(F)C1
InChIInChI=1S/C5H10FN.C2H6/c1-2-7-3-5(6)4-7;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyWUCFRDQBEUMBNJ-UHFFFAOYSA-N
MW133.21 g/mol
LogP1.69
Rot. Bonds1

About ethane;1-ethyl-3-fluoroazetidine

ethane;1-ethyl-3-fluoroazetidine (PubChem CID 145180834) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is ethane;1-ethyl-3-fluoroazetidine.

Molecular Properties

Compound Nameethane;1-ethyl-3-fluoroazetidine
PubChem CID145180834
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC Nameethane;1-ethyl-3-fluoroazetidine
SMILESCC.CCN1CC(F)C1
InChIInChI=1S/C5H10FN.C2H6/c1-2-7-3-5(6)4-7;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyWUCFRDQBEUMBNJ-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-fluoroazetidine?
The IUPAC name of ethane;1-ethyl-3-fluoroazetidine (CID 145180834) is ethane;1-ethyl-3-fluoroazetidine.
What is the SMILES notation for ethane;1-ethyl-3-fluoroazetidine?
The canonical SMILES for ethane;1-ethyl-3-fluoroazetidine is CC.CCN1CC(F)C1.
What is the InChIKey of ethane;1-ethyl-3-fluoroazetidine?
The InChIKey is WUCFRDQBEUMBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN.C2H6/c1-2-7-3-5(6)4-7;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-fluoroazetidine?
ethane;1-ethyl-3-fluoroazetidine has a molecular weight of 133.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-fluoroazetidine is sourced from PubChem (CID 145180834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).