3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine

C8H13F2N — CID 146330698

IUPAC3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine
SMILESC=C(C(C)C)N1CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-6(2)7(3)11-4-8(9,10)5-11/h6H,3-5H2,1-2H3
InChIKeyBEVCCOUDKGNJQV-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.11
Rot. Bonds2

About 3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine

3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine (PubChem CID 146330698) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine
PubChem CID146330698
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine
SMILESC=C(C(C)C)N1CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-6(2)7(3)11-4-8(9,10)5-11/h6H,3-5H2,1-2H3
InChIKeyBEVCCOUDKGNJQV-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine
CID 130217215
N-(2-fluoro-2-methylpropyl)-N,3-dimethylbut-1-en-2-amine
CID 130436255
N-(2-fluoropropyl)-N,3-dimethylbut-1-en-2-amine
CID 132192306
1-But-1-en-2-yl-3-fluoroazetidine
CID 146292685
3,3-Difluoro-1-prop-1-en-2-ylazetidine
CID 146292708
1-(3,3-Dimethylbut-1-en-2-yl)-3,3-difluoroazetidine
CID 154973616
3,3-difluoro-1-[(Z)-4-methylpent-2-en-3-yl]azetidine
CID 155036910
3,3-Difluoro-1-prop-1-en-2-ylazetidine;ethane
CID 157033561
3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine
CID 166960459
3-Fluoro-1-(3-methylbut-1-en-2-yl)azetidine
CID 170117416
N-but-1-en-2-yl-3,3,3-trifluoro-2-methyl-N-propylpropan-1-amine
CID 172384392
N-but-1-en-2-yl-3,3-difluoro-2-methyl-N-propylpropan-1-amine
CID 172384670

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine?
The IUPAC name of 3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine (CID 146330698) is 3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine is C=C(C(C)C)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine?
The InChIKey is BEVCCOUDKGNJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6(2)7(3)11-4-8(9,10)5-11/h6H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine?
3,3-difluoro-1-(3-methylbut-1-en-2-yl)azetidine has a molecular weight of 161.19 g/mol, XLogP of 2.11, 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-(3-methylbut-1-en-2-yl)azetidine is sourced from PubChem (CID 146330698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).