1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone

C11H18F3NO — CID 116588726

IUPAC1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-15-7-10(16)9-5-3-1-2-4-6-9/h9,15H,1-8H2
InChIKeyLCRRMGFOIOFHCY-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.68
Rot. Bonds4

About 1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone

1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 116588726) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID116588726
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-15-7-10(16)9-5-3-1-2-4-6-9/h9,15H,1-8H2
InChIKeyLCRRMGFOIOFHCY-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone (CID 116588726) is 1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is LCRRMGFOIOFHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)8-15-7-10(16)9-5-3-1-2-4-6-9/h9,15H,1-8H2.
What are the key properties of 1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone?
1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 237.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 116588726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).