3,3-difluoro-1-(2-methylbutan-2-yl)azetidine

C8H15F2N — CID 146875562

IUPAC3,3-difluoro-1-(2-methylbutan-2-yl)azetidine
SMILESCCC(C)(C)N1CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-4-7(2,3)11-5-8(9,10)6-11/h4-6H2,1-3H3
InChIKeySQGUAAPBWNUFMK-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.13
Rot. Bonds2

About 3,3-difluoro-1-(2-methylbutan-2-yl)azetidine

3,3-difluoro-1-(2-methylbutan-2-yl)azetidine (PubChem CID 146875562) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylbutan-2-yl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylbutan-2-yl)azetidine
PubChem CID146875562
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3,3-difluoro-1-(2-methylbutan-2-yl)azetidine
SMILESCCC(C)(C)N1CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-4-7(2,3)11-5-8(9,10)6-11/h4-6H2,1-3H3
InChIKeySQGUAAPBWNUFMK-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methylbutan-2-yl)azetidine?
The IUPAC name of 3,3-difluoro-1-(2-methylbutan-2-yl)azetidine (CID 146875562) is 3,3-difluoro-1-(2-methylbutan-2-yl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(2-methylbutan-2-yl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(2-methylbutan-2-yl)azetidine is CCC(C)(C)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methylbutan-2-yl)azetidine?
The InChIKey is SQGUAAPBWNUFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-4-7(2,3)11-5-8(9,10)6-11/h4-6H2,1-3H3.
What are the key properties of 3,3-difluoro-1-(2-methylbutan-2-yl)azetidine?
3,3-difluoro-1-(2-methylbutan-2-yl)azetidine has a molecular weight of 163.21 g/mol, XLogP of 2.13, 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-(2-methylbutan-2-yl)azetidine is sourced from PubChem (CID 146875562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).