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

C12H20F3NO — CID 62615100

IUPAC2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCCN(CC1CCCCC1=O)CC(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-2-7-16(9-12(13,14)15)8-10-5-3-4-6-11(10)17/h10H,2-9H2,1H3
InChIKeyPZDHEXZHOCRYMS-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds5

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

2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62615100) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
PubChem CID62615100
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCCN(CC1CCCCC1=O)CC(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-2-7-16(9-12(13,14)15)8-10-5-3-4-6-11(10)17/h10H,2-9H2,1H3
InChIKeyPZDHEXZHOCRYMS-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
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]cyclohexan-1-one?
The IUPAC name of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (CID 62615100) is 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is CCCN(CC1CCCCC1=O)CC(F)(F)F.
What is the InChIKey of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is PZDHEXZHOCRYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-2-7-16(9-12(13,14)15)8-10-5-3-4-6-11(10)17/h10H,2-9H2,1H3.
What are the key properties of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 251.29 g/mol, XLogP of 3.02, 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]cyclohexan-1-one is sourced from PubChem (CID 62615100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).