5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one

C11H19F3N2O — CID 114271824

IUPAC5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCC(N)CCCC(=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-8(15)3-2-4-10(17)16-6-5-9(7-16)11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyUYXXOLIPXYJBQZ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.91
Rot. Bonds4

About 5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one

5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one (PubChem CID 114271824) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one
PubChem CID114271824
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCC(N)CCCC(=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-8(15)3-2-4-10(17)16-6-5-9(7-16)11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyUYXXOLIPXYJBQZ-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 107909095
2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
CID 82851206
5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 114409070
5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 82852140
4-(5-aminohexanoyl)morpholine-2-carboxylic acid
CID 82852225
1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353
3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68960717
3-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031440
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
ethyl N-[1-(5-aminohexanoyl)piperidin-3-yl]carbamate
CID 82851351
1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568092
5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 82848388

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one (CID 114271824) is 5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one is CC(N)CCCC(=O)N1CCC(C(F)(F)F)C1.
What is the InChIKey of 5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is UYXXOLIPXYJBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(15)3-2-4-10(17)16-6-5-9(7-16)11(12,13)14/h8-9H,2-7,15H2,1H3.
What are the key properties of 5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one?
5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one has a molecular weight of 252.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 114271824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).