1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone

C10H14F3NO — CID 71670549

IUPAC1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone
SMILESCN(C)C1=C(C(=O)C(F)(F)F)C(C)(C)C1
InChIInChI=1S/C10H14F3NO/c1-9(2)5-6(14(3)4)7(9)8(15)10(11,12)13/h5H2,1-4H3
InChIKeySJQYXORZXOYBDR-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.36
Rot. Bonds2

About 1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone

1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone (PubChem CID 71670549) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone
PubChem CID71670549
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone
SMILESCN(C)C1=C(C(=O)C(F)(F)F)C(C)(C)C1
InChIInChI=1S/C10H14F3NO/c1-9(2)5-6(14(3)4)7(9)8(15)10(11,12)13/h5H2,1-4H3
InChIKeySJQYXORZXOYBDR-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone (CID 71670549) is 1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone is CN(C)C1=C(C(=O)C(F)(F)F)C(C)(C)C1.
What is the InChIKey of 1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is SJQYXORZXOYBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-9(2)5-6(14(3)4)7(9)8(15)10(11,12)13/h5H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone?
1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 221.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4,4-dimethylcyclobuten-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 71670549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).