1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine

C10H18F3NO — CID 59223645

IUPAC1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
SMILESCC(C)(C)O[C@H](CN1CCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-9(2,3)15-8(10(11,12)13)7-14-5-4-6-14/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyLKLWBYAXSAGXBL-MRVPVSSYSA-N
MW225.25 g/mol
LogP2.44
Rot. Bonds3

About 1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine

1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine (PubChem CID 59223645) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine.

Molecular Properties

Compound Name1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
PubChem CID59223645
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
SMILESCC(C)(C)O[C@H](CN1CCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-9(2,3)15-8(10(11,12)13)7-14-5-4-6-14/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyLKLWBYAXSAGXBL-MRVPVSSYSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine?
The IUPAC name of 1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine (CID 59223645) is 1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine.
What is the SMILES notation for 1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine?
The canonical SMILES for 1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine is CC(C)(C)O[C@H](CN1CCC1)C(F)(F)F.
What is the InChIKey of 1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine?
The InChIKey is LKLWBYAXSAGXBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(2,3)15-8(10(11,12)13)7-14-5-4-6-14/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine?
1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine has a molecular weight of 225.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine is sourced from PubChem (CID 59223645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).