N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

C14H26F3NO — CID 114623315

IUPACN-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26F3NO/c1-6-18-11(7-8-14(15,16)17)10-9-12(2,3)19-13(10,4)5/h10-11,18H,6-9H2,1-5H3
InChIKeyYQXGUZKEEFDWES-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 114623315) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID114623315
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26F3NO/c1-6-18-11(7-8-14(15,16)17)10-9-12(2,3)19-13(10,4)5/h10-11,18H,6-9H2,1-5H3
InChIKeyYQXGUZKEEFDWES-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-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 N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 114623315) is N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CCNC(CCC(F)(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is YQXGUZKEEFDWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-6-18-11(7-8-14(15,16)17)10-9-12(2,3)19-13(10,4)5/h10-11,18H,6-9H2,1-5H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 114623315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).