ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine

C14H32FNO2 — CID 177319476

IUPACethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine
SMILESCC.CC.CCC1(F)CN(CCOCCOC)C1
InChIInChI=1S/C10H20FNO2.2C2H6/c1-3-10(11)8-12(9-10)4-5-14-7-6-13-2;2*1-2/h3-9H2,1-2H3;2*1-2H3
InChIKeyXWXJKTOFFASLSD-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.14
Rot. Bonds7

About ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine

ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine (PubChem CID 177319476) has the molecular formula C14H32FNO2 and a molecular weight of 265.41 g/mol. Its IUPAC name is ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine.

Molecular Properties

Compound Nameethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine
PubChem CID177319476
Molecular FormulaC14H32FNO2
Molecular Weight265.41 g/mol
Exact Mass265.24
IUPAC Nameethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine
SMILESCC.CC.CCC1(F)CN(CCOCCOC)C1
InChIInChI=1S/C10H20FNO2.2C2H6/c1-3-10(11)8-12(9-10)4-5-14-7-6-13-2;2*1-2/h3-9H2,1-2H3;2*1-2H3
InChIKeyXWXJKTOFFASLSD-UHFFFAOYSA-N
XLogP3.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine?
The IUPAC name of ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine (CID 177319476) is ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine.
What is the SMILES notation for ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine?
The canonical SMILES for ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine is CC.CC.CCC1(F)CN(CCOCCOC)C1.
What is the InChIKey of ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine?
The InChIKey is XWXJKTOFFASLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2.2C2H6/c1-3-10(11)8-12(9-10)4-5-14-7-6-13-2;2*1-2/h3-9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine?
ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine has a molecular weight of 265.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-3-fluoro-1-[2-(2-methoxyethoxy)ethyl]azetidine is sourced from PubChem (CID 177319476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).