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

C15H28F3NO — CID 114623316

IUPAC4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H28F3NO/c1-6-9-19-12(7-8-15(16,17)18)11-10-13(2,3)20-14(11,4)5/h11-12,19H,6-10H2,1-5H3
InChIKeyLVEYEKFQQAJJNB-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.29
Rot. Bonds6

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

4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 114623316) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID114623316
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H28F3NO/c1-6-9-19-12(7-8-15(16,17)18)11-10-13(2,3)20-14(11,4)5/h11-12,19H,6-10H2,1-5H3
InChIKeyLVEYEKFQQAJJNB-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
N-ethyl-4,4,4-trifluoro-1-(oxolan-3-yl)butan-1-amine
CID 65330029
4,4,4-trifluoro-N-methyl-1-(oxolan-3-yl)butan-1-amine
CID 65330076
4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine
CID 65330147
N-ethyl-3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79914637
3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915275
N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79952601
2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102900558
2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102900559
8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine
CID 103028745
1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine
CID 103031726
1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031849

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 114623316) is 4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CCCNC(CCC(F)(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is LVEYEKFQQAJJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-6-9-19-12(7-8-15(16,17)18)11-10-13(2,3)20-14(11,4)5/h11-12,19H,6-10H2,1-5H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.29, 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-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 114623316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).