4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine

C12H22F3NO — CID 104992739

IUPAC4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1OCCC1C
InChIInChI=1S/C12H22F3NO/c1-3-7-16-10(4-6-12(13,14)15)11-9(2)5-8-17-11/h9-11,16H,3-8H2,1-2H3
InChIKeyJALYHEFSHKLDFM-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds6

About 4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 104992739) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
PubChem CID104992739
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1OCCC1C
InChIInChI=1S/C12H22F3NO/c1-3-7-16-10(4-6-12(13,14)15)11-9(2)5-8-17-11/h9-11,16H,3-8H2,1-2H3
InChIKeyJALYHEFSHKLDFM-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine 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 4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine (CID 104992739) is 4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)C1OCCC1C.
What is the InChIKey of 4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is JALYHEFSHKLDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-7-16-10(4-6-12(13,14)15)11-9(2)5-8-17-11/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 104992739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).