1-tert-butyl-3-(difluoromethyl)azetidine

C8H15F2N — CID 129150642

IUPAC1-tert-butyl-3-(difluoromethyl)azetidine
SMILESCC(C)(C)N1CC(C(F)F)C1
InChIInChI=1S/C8H15F2N/c1-8(2,3)11-4-6(5-11)7(9)10/h6-7H,4-5H2,1-3H3
InChIKeyUEEPYGVHXSLYRF-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.98
Rot. Bonds1

About 1-tert-butyl-3-(difluoromethyl)azetidine

1-tert-butyl-3-(difluoromethyl)azetidine (PubChem CID 129150642) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 1-tert-butyl-3-(difluoromethyl)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(difluoromethyl)azetidine
PubChem CID129150642
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name1-tert-butyl-3-(difluoromethyl)azetidine
SMILESCC(C)(C)N1CC(C(F)F)C1
InChIInChI=1S/C8H15F2N/c1-8(2,3)11-4-6(5-11)7(9)10/h6-7H,4-5H2,1-3H3
InChIKeyUEEPYGVHXSLYRF-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(difluoromethyl)azetidine?
The IUPAC name of 1-tert-butyl-3-(difluoromethyl)azetidine (CID 129150642) is 1-tert-butyl-3-(difluoromethyl)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(difluoromethyl)azetidine?
The canonical SMILES for 1-tert-butyl-3-(difluoromethyl)azetidine is CC(C)(C)N1CC(C(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(difluoromethyl)azetidine?
The InChIKey is UEEPYGVHXSLYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-8(2,3)11-4-6(5-11)7(9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(difluoromethyl)azetidine?
1-tert-butyl-3-(difluoromethyl)azetidine has a molecular weight of 163.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(difluoromethyl)azetidine is sourced from PubChem (CID 129150642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).