3-ethyl-3-(1-fluoropropyl)azetidine

C8H16FN — CID 167037643

IUPAC3-ethyl-3-(1-fluoropropyl)azetidine
SMILESCCC(F)C1(CC)CNC1
InChIInChI=1S/C8H16FN/c1-3-7(9)8(4-2)5-10-6-8/h7,10H,3-6H2,1-2H3
InChIKeyDUCSWJUOZRFSIP-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds3

About 3-ethyl-3-(1-fluoropropyl)azetidine

3-ethyl-3-(1-fluoropropyl)azetidine (PubChem CID 167037643) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-ethyl-3-(1-fluoropropyl)azetidine.

Molecular Properties

Compound Name3-ethyl-3-(1-fluoropropyl)azetidine
PubChem CID167037643
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-ethyl-3-(1-fluoropropyl)azetidine
SMILESCCC(F)C1(CC)CNC1
InChIInChI=1S/C8H16FN/c1-3-7(9)8(4-2)5-10-6-8/h7,10H,3-6H2,1-2H3
InChIKeyDUCSWJUOZRFSIP-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(1-fluoropropyl)azetidine?
The IUPAC name of 3-ethyl-3-(1-fluoropropyl)azetidine (CID 167037643) is 3-ethyl-3-(1-fluoropropyl)azetidine.
What is the SMILES notation for 3-ethyl-3-(1-fluoropropyl)azetidine?
The canonical SMILES for 3-ethyl-3-(1-fluoropropyl)azetidine is CCC(F)C1(CC)CNC1.
What is the InChIKey of 3-ethyl-3-(1-fluoropropyl)azetidine?
The InChIKey is DUCSWJUOZRFSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-7(9)8(4-2)5-10-6-8/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-3-(1-fluoropropyl)azetidine?
3-ethyl-3-(1-fluoropropyl)azetidine has a molecular weight of 145.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(1-fluoropropyl)azetidine is sourced from PubChem (CID 167037643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).