3,3-difluoro-1-pent-2-enylazetidine

C8H13F2N — CID 123778173

IUPAC3,3-difluoro-1-pent-2-enylazetidine
SMILESCCC=CCN1CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-2-3-4-5-11-6-8(9,10)7-11/h3-4H,2,5-7H2,1H3
InChIKeyUBIWDZBOXJTPSZ-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.90
Rot. Bonds3

About 3,3-difluoro-1-pent-2-enylazetidine

3,3-difluoro-1-pent-2-enylazetidine (PubChem CID 123778173) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3,3-difluoro-1-pent-2-enylazetidine.

Molecular Properties

Compound Name3,3-difluoro-1-pent-2-enylazetidine
PubChem CID123778173
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3,3-difluoro-1-pent-2-enylazetidine
SMILESCCC=CCN1CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-2-3-4-5-11-6-8(9,10)7-11/h3-4H,2,5-7H2,1H3
InChIKeyUBIWDZBOXJTPSZ-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-pent-2-enylazetidine?
The IUPAC name of 3,3-difluoro-1-pent-2-enylazetidine (CID 123778173) is 3,3-difluoro-1-pent-2-enylazetidine.
What is the SMILES notation for 3,3-difluoro-1-pent-2-enylazetidine?
The canonical SMILES for 3,3-difluoro-1-pent-2-enylazetidine is CCC=CCN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-pent-2-enylazetidine?
The InChIKey is UBIWDZBOXJTPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-2-3-4-5-11-6-8(9,10)7-11/h3-4H,2,5-7H2,1H3.
What are the key properties of 3,3-difluoro-1-pent-2-enylazetidine?
3,3-difluoro-1-pent-2-enylazetidine has a molecular weight of 161.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-pent-2-enylazetidine is sourced from PubChem (CID 123778173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).