3,3-difluoro-1-propylazetidine

C6H11F2N — CID 67967746

IUPAC3,3-difluoro-1-propylazetidine
SMILESCCCN1CC(F)(F)C1
InChIInChI=1S/C6H11F2N/c1-2-3-9-4-6(7,8)5-9/h2-5H2,1H3
InChIKeyUVDHHZDORWJECV-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.35
Rot. Bonds2

About 3,3-difluoro-1-propylazetidine

3,3-difluoro-1-propylazetidine (PubChem CID 67967746) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 3,3-difluoro-1-propylazetidine.

Molecular Properties

Compound Name3,3-difluoro-1-propylazetidine
PubChem CID67967746
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name3,3-difluoro-1-propylazetidine
SMILESCCCN1CC(F)(F)C1
InChIInChI=1S/C6H11F2N/c1-2-3-9-4-6(7,8)5-9/h2-5H2,1H3
InChIKeyUVDHHZDORWJECV-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propylazetidine?
The IUPAC name of 3,3-difluoro-1-propylazetidine (CID 67967746) is 3,3-difluoro-1-propylazetidine.
What is the SMILES notation for 3,3-difluoro-1-propylazetidine?
The canonical SMILES for 3,3-difluoro-1-propylazetidine is CCCN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-propylazetidine?
The InChIKey is UVDHHZDORWJECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-2-3-9-4-6(7,8)5-9/h2-5H2,1H3.
What are the key properties of 3,3-difluoro-1-propylazetidine?
3,3-difluoro-1-propylazetidine has a molecular weight of 135.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propylazetidine is sourced from PubChem (CID 67967746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).