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

C14H24F3NO — CID 62704327

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCCN(CC1CC(C(C)C)CCC1=O)CC(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-4-18(9-14(15,16)17)8-12-7-11(10(2)3)5-6-13(12)19/h10-12H,4-9H2,1-3H3
InChIKeyCIQABGNZYPZNDS-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.51
Rot. Bonds5

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

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 62704327) 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-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID62704327
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCCN(CC1CC(C(C)C)CCC1=O)CC(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-4-18(9-14(15,16)17)8-12-7-11(10(2)3)5-6-13(12)19/h10-12H,4-9H2,1-3H3
InChIKeyCIQABGNZYPZNDS-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (CID 62704327) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is CCN(CC1CC(C(C)C)CCC1=O)CC(F)(F)F.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is CIQABGNZYPZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-4-18(9-14(15,16)17)8-12-7-11(10(2)3)5-6-13(12)19/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 279.35 g/mol, XLogP of 3.51, 5 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-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 62704327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).