2,2,3-trimethyl-1-(trifluoromethyl)azetidine

C7H12F3N — CID 151778132

IUPAC2,2,3-trimethyl-1-(trifluoromethyl)azetidine
SMILESCC1CN(C(F)(F)F)C1(C)C
InChIInChI=1S/C7H12F3N/c1-5-4-11(6(5,2)3)7(8,9)10/h5H,4H2,1-3H3
InChIKeyRUADPENXYNKDRX-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.24
Rot. Bonds

About 2,2,3-trimethyl-1-(trifluoromethyl)azetidine

2,2,3-trimethyl-1-(trifluoromethyl)azetidine (PubChem CID 151778132) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name2,2,3-trimethyl-1-(trifluoromethyl)azetidine
PubChem CID151778132
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name2,2,3-trimethyl-1-(trifluoromethyl)azetidine
SMILESCC1CN(C(F)(F)F)C1(C)C
InChIInChI=1S/C7H12F3N/c1-5-4-11(6(5,2)3)7(8,9)10/h5H,4H2,1-3H3
InChIKeyRUADPENXYNKDRX-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1-(trifluoromethyl)azetidine?
The IUPAC name of 2,2,3-trimethyl-1-(trifluoromethyl)azetidine (CID 151778132) is 2,2,3-trimethyl-1-(trifluoromethyl)azetidine.
What is the SMILES notation for 2,2,3-trimethyl-1-(trifluoromethyl)azetidine?
The canonical SMILES for 2,2,3-trimethyl-1-(trifluoromethyl)azetidine is CC1CN(C(F)(F)F)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-1-(trifluoromethyl)azetidine?
The InChIKey is RUADPENXYNKDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5-4-11(6(5,2)3)7(8,9)10/h5H,4H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-1-(trifluoromethyl)azetidine?
2,2,3-trimethyl-1-(trifluoromethyl)azetidine has a molecular weight of 167.17 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-(trifluoromethyl)azetidine is sourced from PubChem (CID 151778132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).