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

C8H14F3N — CID 90450768

IUPAC1-tert-butyl-3-(trifluoromethyl)azetidine
SMILESCC(C)(C)N1CC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c1-7(2,3)12-4-6(5-12)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyIDTRJHGERMMXOO-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.28
Rot. Bonds

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

1-tert-butyl-3-(trifluoromethyl)azetidine (PubChem CID 90450768) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 1-tert-butyl-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(trifluoromethyl)azetidine
PubChem CID90450768
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name1-tert-butyl-3-(trifluoromethyl)azetidine
SMILESCC(C)(C)N1CC(C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c1-7(2,3)12-4-6(5-12)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyIDTRJHGERMMXOO-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.28
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-(trifluoromethyl)azetidine?
The IUPAC name of 1-tert-butyl-3-(trifluoromethyl)azetidine (CID 90450768) is 1-tert-butyl-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(trifluoromethyl)azetidine?
The canonical SMILES for 1-tert-butyl-3-(trifluoromethyl)azetidine is CC(C)(C)N1CC(C(F)(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(trifluoromethyl)azetidine?
The InChIKey is IDTRJHGERMMXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-7(2,3)12-4-6(5-12)8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(trifluoromethyl)azetidine?
1-tert-butyl-3-(trifluoromethyl)azetidine has a molecular weight of 181.20 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 90450768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).