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

C13H24F3NO — CID 104992908

IUPACN-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1C(C)OC(C)C1C
InChIInChI=1S/C13H24F3NO/c1-5-17-11(6-7-13(14,15)16)12-8(2)9(3)18-10(12)4/h8-12,17H,5-7H2,1-4H3
InChIKeyHOTIPACYKGZECO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds5

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

N-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (PubChem CID 104992908) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
PubChem CID104992908
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1C(C)OC(C)C1C
InChIInChI=1S/C13H24F3NO/c1-5-17-11(6-7-13(14,15)16)12-8(2)9(3)18-10(12)4/h8-12,17H,5-7H2,1-4H3
InChIKeyHOTIPACYKGZECO-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (CID 104992908) is N-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine is CCNC(CCC(F)(F)F)C1C(C)OC(C)C1C.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The InChIKey is HOTIPACYKGZECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-5-17-11(6-7-13(14,15)16)12-8(2)9(3)18-10(12)4/h8-12,17H,5-7H2,1-4H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 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-(2,4,5-trimethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 104992908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).