3-(3-fluoropropoxy)-3-methylazetidine

C7H14FNO — CID 83066762

IUPAC3-(3-fluoropropoxy)-3-methylazetidine
SMILESCC1(OCCCF)CNC1
InChIInChI=1S/C7H14FNO/c1-7(5-9-6-7)10-4-2-3-8/h9H,2-6H2,1H3
InChIKeyRYHFHKRGFVMCRW-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds4

About 3-(3-fluoropropoxy)-3-methylazetidine

3-(3-fluoropropoxy)-3-methylazetidine (PubChem CID 83066762) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-(3-fluoropropoxy)-3-methylazetidine.

Molecular Properties

Compound Name3-(3-fluoropropoxy)-3-methylazetidine
PubChem CID83066762
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-(3-fluoropropoxy)-3-methylazetidine
SMILESCC1(OCCCF)CNC1
InChIInChI=1S/C7H14FNO/c1-7(5-9-6-7)10-4-2-3-8/h9H,2-6H2,1H3
InChIKeyRYHFHKRGFVMCRW-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropoxy)-3-methylazetidine?
The IUPAC name of 3-(3-fluoropropoxy)-3-methylazetidine (CID 83066762) is 3-(3-fluoropropoxy)-3-methylazetidine.
What is the SMILES notation for 3-(3-fluoropropoxy)-3-methylazetidine?
The canonical SMILES for 3-(3-fluoropropoxy)-3-methylazetidine is CC1(OCCCF)CNC1.
What is the InChIKey of 3-(3-fluoropropoxy)-3-methylazetidine?
The InChIKey is RYHFHKRGFVMCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-7(5-9-6-7)10-4-2-3-8/h9H,2-6H2,1H3.
What are the key properties of 3-(3-fluoropropoxy)-3-methylazetidine?
3-(3-fluoropropoxy)-3-methylazetidine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropoxy)-3-methylazetidine is sourced from PubChem (CID 83066762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).