1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine

C9H15F2N — CID 154973616

IUPAC1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine
SMILESC=C(N1CC(F)(F)C1)C(C)(C)C
InChIInChI=1S/C9H15F2N/c1-7(8(2,3)4)12-5-9(10,11)6-12/h1,5-6H2,2-4H3
InChIKeyTTYREBGDVAJGEN-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.50
Rot. Bonds1

About 1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine

1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine (PubChem CID 154973616) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine
PubChem CID154973616
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine
SMILESC=C(N1CC(F)(F)C1)C(C)(C)C
InChIInChI=1S/C9H15F2N/c1-7(8(2,3)4)12-5-9(10,11)6-12/h1,5-6H2,2-4H3
InChIKeyTTYREBGDVAJGEN-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-Dimethylpent-1-en-2-yl)-3,3-difluoroazetidine
CID 58116614
N,N-diethyl-3,3-difluorobut-1-en-2-amine
CID 123864048
3,3-Difluoro-1-(3-methylbut-1-en-2-yl)azetidine
CID 146330698
3,3-Difluoro-1-prop-1-en-2-ylazetidine;ethane
CID 157033561
3-Fluoro-1-(3-methylbut-1-en-2-yl)azetidine
CID 170117416
1-But-1-en-2-yl-3,3-difluoroazetidine
CID 142320682
1-(3,3-Dimethylbut-1-en-2-yl)azetidine
CID 130368980
3,3-Dimethyl-2-methylidene-1-propan-2-ylazetidine
CID 160521470

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine?
The IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine (CID 154973616) is 1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine.
What is the SMILES notation for 1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine?
The canonical SMILES for 1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine is C=C(N1CC(F)(F)C1)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine?
The InChIKey is TTYREBGDVAJGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7(8(2,3)4)12-5-9(10,11)6-12/h1,5-6H2,2-4H3.
What are the key properties of 1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine?
1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine has a molecular weight of 175.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-en-2-yl)-3,3-difluoroazetidine is sourced from PubChem (CID 154973616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).