1-ethyl-3-(trifluoromethyl)azetidine

C6H10F3N — CID 118188633

IUPAC1-ethyl-3-(trifluoromethyl)azetidine
SMILESCCN1CC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3N/c1-2-10-3-5(4-10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyOJSCAICPOAPXDD-UHFFFAOYSA-N
MW153.15 g/mol
LogP1.50
Rot. Bonds1

About 1-ethyl-3-(trifluoromethyl)azetidine

1-ethyl-3-(trifluoromethyl)azetidine (PubChem CID 118188633) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)azetidine
PubChem CID118188633
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name1-ethyl-3-(trifluoromethyl)azetidine
SMILESCCN1CC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3N/c1-2-10-3-5(4-10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyOJSCAICPOAPXDD-UHFFFAOYSA-N
XLogP1.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)azetidine?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)azetidine (CID 118188633) is 1-ethyl-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)azetidine?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)azetidine is CCN1CC(C(F)(F)F)C1.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)azetidine?
The InChIKey is OJSCAICPOAPXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c1-2-10-3-5(4-10)6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)azetidine?
1-ethyl-3-(trifluoromethyl)azetidine has a molecular weight of 153.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 118188633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).