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

C11H17F3N2O — CID 168700059

IUPAC4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)7-1-3-9(4-2-7)16-6-8(15)5-10(16)17/h7-9H,1-6,15H2
InChIKeyHSKFFOLLOJLOQE-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.67
Rot. Bonds1

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

4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one (PubChem CID 168700059) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
PubChem CID168700059
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)7-1-3-9(4-2-7)16-6-8(15)5-10(16)17/h7-9H,1-6,15H2
InChIKeyHSKFFOLLOJLOQE-UHFFFAOYSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168660113
4-chloro-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168688457
5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 168691287
4-amino-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 72716151
4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168685129
4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
CID 61465092
4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one
CID 168699642
1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one
CID 168702823
4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one
CID 168699125
4-amino-1-cyclopentylpiperidin-2-one
CID 83636323
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168698716

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one (CID 168700059) is 4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one is NC1CC(=O)N(C2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The InChIKey is HSKFFOLLOJLOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)7-1-3-9(4-2-7)16-6-8(15)5-10(16)17/h7-9H,1-6,15H2.
What are the key properties of 4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one has a molecular weight of 250.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one is sourced from PubChem (CID 168700059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).