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

C14H24F3NO — CID 62613370

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC)CC(F)(F)F)C1
InChIInChI=1S/C14H24F3NO/c1-3-5-11-6-7-13(19)12(8-11)9-18(4-2)10-14(15,16)17/h11-12H,3-10H2,1-2H3
InChIKeyLAWISIQYWDKVRP-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds6

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

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 62613370) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID62613370
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC)CC(F)(F)F)C1
InChIInChI=1S/C14H24F3NO/c1-3-5-11-6-7-13(19)12(8-11)9-18(4-2)10-14(15,16)17/h11-12H,3-10H2,1-2H3
InChIKeyLAWISIQYWDKVRP-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one (CID 62613370) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(CC)CC(F)(F)F)C1.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is LAWISIQYWDKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-3-5-11-6-7-13(19)12(8-11)9-18(4-2)10-14(15,16)17/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 279.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62613370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).