2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one

C13H22F3NO — CID 62611879

IUPAC2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one
SMILESCCCN(CC1CCCCCC1=O)CC(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-2-8-17(10-13(14,15)16)9-11-6-4-3-5-7-12(11)18/h11H,2-10H2,1H3
InChIKeyOGSPXQOGYWMSRL-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.41
Rot. Bonds5

About 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one

2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one (PubChem CID 62611879) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one
PubChem CID62611879
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one
SMILESCCCN(CC1CCCCCC1=O)CC(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-2-8-17(10-13(14,15)16)9-11-6-4-3-5-7-12(11)18/h11H,2-10H2,1H3
InChIKeyOGSPXQOGYWMSRL-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one?
The IUPAC name of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one (CID 62611879) is 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one?
The canonical SMILES for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one is CCCN(CC1CCCCCC1=O)CC(F)(F)F.
What is the InChIKey of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one?
The InChIKey is OGSPXQOGYWMSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-8-17(10-13(14,15)16)9-11-6-4-3-5-7-12(11)18/h11H,2-10H2,1H3.
What are the key properties of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one?
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one has a molecular weight of 265.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one is sourced from PubChem (CID 62611879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).