3,3-difluoro-1-(3-methylbut-3-enyl)azetidine

C8H13F2N — CID 174352272

IUPAC3,3-difluoro-1-(3-methylbut-3-enyl)azetidine
SMILESC=C(C)CCN1CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-7(2)3-4-11-5-8(9,10)6-11/h1,3-6H2,2H3
InChIKeyCFJVMFHPWAQMKB-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.90
Rot. Bonds3

About 3,3-difluoro-1-(3-methylbut-3-enyl)azetidine

3,3-difluoro-1-(3-methylbut-3-enyl)azetidine (PubChem CID 174352272) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methylbut-3-enyl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methylbut-3-enyl)azetidine
PubChem CID174352272
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3,3-difluoro-1-(3-methylbut-3-enyl)azetidine
SMILESC=C(C)CCN1CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-7(2)3-4-11-5-8(9,10)6-11/h1,3-6H2,2H3
InChIKeyCFJVMFHPWAQMKB-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-(3-methylbut-3-enyl)azetidine?
The IUPAC name of 3,3-difluoro-1-(3-methylbut-3-enyl)azetidine (CID 174352272) is 3,3-difluoro-1-(3-methylbut-3-enyl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(3-methylbut-3-enyl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(3-methylbut-3-enyl)azetidine is C=C(C)CCN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(3-methylbut-3-enyl)azetidine?
The InChIKey is CFJVMFHPWAQMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-7(2)3-4-11-5-8(9,10)6-11/h1,3-6H2,2H3.
What are the key properties of 3,3-difluoro-1-(3-methylbut-3-enyl)azetidine?
3,3-difluoro-1-(3-methylbut-3-enyl)azetidine 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-(3-methylbut-3-enyl)azetidine is sourced from PubChem (CID 174352272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).