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

C14H26F3NO — CID 104992862

IUPAC4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1C(C)OC(C)C1C
InChIInChI=1S/C14H26F3NO/c1-5-8-18-12(6-7-14(15,16)17)13-9(2)10(3)19-11(13)4/h9-13,18H,5-8H2,1-4H3
InChIKeyDVYXWOJZRNXSKI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds6

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

4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (PubChem CID 104992862) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
PubChem CID104992862
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1C(C)OC(C)C1C
InChIInChI=1S/C14H26F3NO/c1-5-8-18-12(6-7-14(15,16)17)13-9(2)10(3)19-11(13)4/h9-13,18H,5-8H2,1-4H3
InChIKeyDVYXWOJZRNXSKI-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (CID 104992862) is 4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine is CCCNC(CCC(F)(F)F)C1C(C)OC(C)C1C.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The InChIKey is DVYXWOJZRNXSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-5-8-18-12(6-7-14(15,16)17)13-9(2)10(3)19-11(13)4/h9-13,18H,5-8H2,1-4H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
4,4,4-trifluoro-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.76, 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-(2,4,5-trimethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 104992862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).