(3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

C11H16F3NO — CID 58054361

IUPAC(3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)C1CN(C(=O)C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H16F3NO/c1-7(2)8-5-15(6-8)9(16)10(3-4-10)11(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyUBXHMEIQCNIRLR-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.44
Rot. Bonds2

About (3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

(3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 58054361) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is (3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID58054361
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name(3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)C1CN(C(=O)C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H16F3NO/c1-7(2)8-5-15(6-8)9(16)10(3-4-10)11(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyUBXHMEIQCNIRLR-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of (3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (CID 58054361) is (3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for (3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for (3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is CC(C)C1CN(C(=O)C2(C(F)(F)F)CC2)C1.
What is the InChIKey of (3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is UBXHMEIQCNIRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-7(2)8-5-15(6-8)9(16)10(3-4-10)11(12,13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of (3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
(3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 235.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 58054361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).