1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one

C10H16F3NO2 — CID 116563179

IUPAC1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one
SMILESCC1(C(=O)CCCC(F)(F)F)COCC1N
InChIInChI=1S/C10H16F3NO2/c1-9(6-16-5-7(9)14)8(15)3-2-4-10(11,12)13/h7H,2-6,14H2,1H3
InChIKeyHJFCPEHGTVVGGB-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.65
Rot. Bonds4

About 1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one

1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one (PubChem CID 116563179) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one
PubChem CID116563179
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one
SMILESCC1(C(=O)CCCC(F)(F)F)COCC1N
InChIInChI=1S/C10H16F3NO2/c1-9(6-16-5-7(9)14)8(15)3-2-4-10(11,12)13/h7H,2-6,14H2,1H3
InChIKeyHJFCPEHGTVVGGB-UHFFFAOYSA-N
XLogP1.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one (CID 116563179) is 1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one is CC1(C(=O)CCCC(F)(F)F)COCC1N.
What is the InChIKey of 1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one?
The InChIKey is HJFCPEHGTVVGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(6-16-5-7(9)14)8(15)3-2-4-10(11,12)13/h7H,2-6,14H2,1H3.
What are the key properties of 1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one?
1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 116563179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).