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

C14H24F3NO — CID 62613034

IUPAC4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C14H24F3NO/c1-4-11-5-6-13(19)12(7-11)8-18(10(2)3)9-14(15,16)17/h10-12H,4-9H2,1-3H3
InChIKeyLWKPSDQSYQPENN-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.65
Rot. Bonds5

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

4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62613034) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
PubChem CID62613034
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C14H24F3NO/c1-4-11-5-6-13(19)12(7-11)8-18(10(2)3)9-14(15,16)17/h10-12H,4-9H2,1-3H3
InChIKeyLWKPSDQSYQPENN-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (CID 62613034) is 4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(CC(F)(F)F)C(C)C)C1.
What is the InChIKey of 4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is LWKPSDQSYQPENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-4-11-5-6-13(19)12(7-11)8-18(10(2)3)9-14(15,16)17/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 279.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62613034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).