3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine

C8H11F2N — CID 123866763

IUPAC3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine
SMILESC=CC(=C)CN1CC(F)(F)C1
InChIInChI=1S/C8H11F2N/c1-3-7(2)4-11-5-8(9,10)6-11/h3H,1-2,4-6H2
InChIKeyDAXYSIUFXYIQMI-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.68
Rot. Bonds3

About 3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine

3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine (PubChem CID 123866763) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine
PubChem CID123866763
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine
SMILESC=CC(=C)CN1CC(F)(F)C1
InChIInChI=1S/C8H11F2N/c1-3-7(2)4-11-5-8(9,10)6-11/h3H,1-2,4-6H2
InChIKeyDAXYSIUFXYIQMI-UHFFFAOYSA-N
XLogP1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-1-[(2E)-penta-2,4-dienyl]azetidine
CID 132236530
1-(2-Ethylbuta-2,3-dienyl)-3,3-difluoroazetidine
CID 161100169
3,3-Difluoro-1-(3-methylbut-3-enyl)azetidine
CID 174352272
3,3-difluoro-1-[(2E)-4-methylpenta-2,4-dienyl]azetidine
CID 177231962
3-(difluoromethyl)-1-[(2E)-penta-2,4-dienyl]azetidine
CID 177231769
1-[(2E)-2-ethenylpenta-2,4-dienyl]azetidine
CID 142366577
1-(2-Methylidenebut-3-enyl)azetidine
CID 172623979

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine?
The IUPAC name of 3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine (CID 123866763) is 3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine is C=CC(=C)CN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine?
The InChIKey is DAXYSIUFXYIQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-3-7(2)4-11-5-8(9,10)6-11/h3H,1-2,4-6H2.
What are the key properties of 3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine?
3,3-difluoro-1-(2-methylidenebut-3-enyl)azetidine has a molecular weight of 159.18 g/mol, XLogP of 1.68, 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-(2-methylidenebut-3-enyl)azetidine is sourced from PubChem (CID 123866763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).