(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone

C10H14F3NO — CID 126793854

IUPAC(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESCC1CN(C(=O)C2(C(F)(F)F)CCC2)C1
InChIInChI=1S/C10H14F3NO/c1-7-5-14(6-7)8(15)9(3-2-4-9)10(11,12)13/h7H,2-6H2,1H3
InChIKeyYYLFZTJEMILRJD-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.20
Rot. Bonds1

About (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone

(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone (PubChem CID 126793854) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone
PubChem CID126793854
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESCC1CN(C(=O)C2(C(F)(F)F)CCC2)C1
InChIInChI=1S/C10H14F3NO/c1-7-5-14(6-7)8(15)9(3-2-4-9)10(11,12)13/h7H,2-6H2,1H3
InChIKeyYYLFZTJEMILRJD-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone?
The IUPAC name of (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone (CID 126793854) is (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone.
What is the SMILES notation for (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone?
The canonical SMILES for (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone is CC1CN(C(=O)C2(C(F)(F)F)CCC2)C1.
What is the InChIKey of (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone?
The InChIKey is YYLFZTJEMILRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7-5-14(6-7)8(15)9(3-2-4-9)10(11,12)13/h7H,2-6H2,1H3.
What are the key properties of (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone?
(3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone has a molecular weight of 221.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone is sourced from PubChem (CID 126793854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).