1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one

C13H18F6N2O — CID 75508685

IUPAC1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
SMILESO=C1CC(NC2CCC(C(F)(F)F)CC2)CN1CC(F)(F)F
InChIInChI=1S/C13H18F6N2O/c14-12(15,16)7-21-6-10(5-11(21)22)20-9-3-1-8(2-4-9)13(17,18)19/h8-10,20H,1-7H2
InChIKeyBVMPHUFOBRMLQS-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.86
Rot. Bonds3

About 1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one

1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one (PubChem CID 75508685) has the molecular formula C13H18F6N2O and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
PubChem CID75508685
Molecular FormulaC13H18F6N2O
Molecular Weight332.29 g/mol
Exact Mass332.13
IUPAC Name1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
SMILESO=C1CC(NC2CCC(C(F)(F)F)CC2)CN1CC(F)(F)F
InChIInChI=1S/C13H18F6N2O/c14-12(15,16)7-21-6-10(5-11(21)22)20-9-3-1-8(2-4-9)13(17,18)19/h8-10,20H,1-7H2
InChIKeyBVMPHUFOBRMLQS-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one (CID 75508685) is 1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one is O=C1CC(NC2CCC(C(F)(F)F)CC2)CN1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
The InChIKey is BVMPHUFOBRMLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6N2O/c14-12(15,16)7-21-6-10(5-11(21)22)20-9-3-1-8(2-4-9)13(17,18)19/h8-10,20H,1-7H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one has a molecular weight of 332.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 75508685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).