2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one

C15H26F3NO — CID 62613035

IUPAC2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C15H26F3NO/c1-4-5-12-6-7-14(20)13(8-12)9-19(11(2)3)10-15(16,17)18/h11-13H,4-10H2,1-3H3
InChIKeyYEGZFRSGGXOUDT-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.04
Rot. Bonds6

About 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one

2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 62613035) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID62613035
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C15H26F3NO/c1-4-5-12-6-7-14(20)13(8-12)9-19(11(2)3)10-15(16,17)18/h11-13H,4-10H2,1-3H3
InChIKeyYEGZFRSGGXOUDT-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one (CID 62613035) is 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(CC(F)(F)F)C(C)C)C1.
What is the InChIKey of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is YEGZFRSGGXOUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-4-5-12-6-7-14(20)13(8-12)9-19(11(2)3)10-15(16,17)18/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 293.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62613035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).