3-fluoro-1-heptan-4-ylazetidine

C10H20FN — CID 123397834

IUPAC3-fluoro-1-heptan-4-ylazetidine
SMILESCCCC(CCC)N1CC(F)C1
InChIInChI=1S/C10H20FN/c1-3-5-10(6-4-2)12-7-9(11)8-12/h9-10H,3-8H2,1-2H3
InChIKeyRGJWBCCYFOIUDR-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.61
Rot. Bonds5

About 3-fluoro-1-heptan-4-ylazetidine

3-fluoro-1-heptan-4-ylazetidine (PubChem CID 123397834) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 3-fluoro-1-heptan-4-ylazetidine.

Molecular Properties

Compound Name3-fluoro-1-heptan-4-ylazetidine
PubChem CID123397834
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name3-fluoro-1-heptan-4-ylazetidine
SMILESCCCC(CCC)N1CC(F)C1
InChIInChI=1S/C10H20FN/c1-3-5-10(6-4-2)12-7-9(11)8-12/h9-10H,3-8H2,1-2H3
InChIKeyRGJWBCCYFOIUDR-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-heptan-4-ylazetidine?
The IUPAC name of 3-fluoro-1-heptan-4-ylazetidine (CID 123397834) is 3-fluoro-1-heptan-4-ylazetidine.
What is the SMILES notation for 3-fluoro-1-heptan-4-ylazetidine?
The canonical SMILES for 3-fluoro-1-heptan-4-ylazetidine is CCCC(CCC)N1CC(F)C1.
What is the InChIKey of 3-fluoro-1-heptan-4-ylazetidine?
The InChIKey is RGJWBCCYFOIUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-3-5-10(6-4-2)12-7-9(11)8-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-1-heptan-4-ylazetidine?
3-fluoro-1-heptan-4-ylazetidine has a molecular weight of 173.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-heptan-4-ylazetidine is sourced from PubChem (CID 123397834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).