1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine

C10H18F3NO — CID 137471188

IUPAC1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
SMILESCC(C)OC1(C(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C10H18F3NO/c1-7(2)14-5-9(6-14,10(11,12)13)15-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyUGDNEGYANZJDBA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.44
Rot. Bonds3

About 1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine

1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine (PubChem CID 137471188) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
PubChem CID137471188
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
SMILESCC(C)OC1(C(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C10H18F3NO/c1-7(2)14-5-9(6-14,10(11,12)13)15-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyUGDNEGYANZJDBA-UHFFFAOYSA-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-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine?
The IUPAC name of 1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine (CID 137471188) is 1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine?
The canonical SMILES for 1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine is CC(C)OC1(C(F)(F)F)CN(C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine?
The InChIKey is UGDNEGYANZJDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)14-5-9(6-14,10(11,12)13)15-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine?
1-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)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-propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 137471188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).