1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine

C13H24F3NO2 — CID 116765669

IUPAC1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCCOC1(C(CCCC(F)(F)F)NC)CCOCC1
InChIInChI=1S/C13H24F3NO2/c1-3-19-12(7-9-18-10-8-12)11(17-2)5-4-6-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyZXZSQTWUIKIPKR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.89
Rot. Bonds7

About 1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine

1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine (PubChem CID 116765669) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
PubChem CID116765669
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCCOC1(C(CCCC(F)(F)F)NC)CCOCC1
InChIInChI=1S/C13H24F3NO2/c1-3-19-12(7-9-18-10-8-12)11(17-2)5-4-6-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyZXZSQTWUIKIPKR-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698
1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
CID 116765630
1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine
CID 107009741
1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 116764230
5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine
CID 116764437
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788
1-(4-ethoxyoxan-4-yl)propylhydrazine
CID 105276867
1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116761963
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
CID 114857241
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine (CID 116765669) is 1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine is CCOC1(C(CCCC(F)(F)F)NC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The InChIKey is ZXZSQTWUIKIPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-3-19-12(7-9-18-10-8-12)11(17-2)5-4-6-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine has a molecular weight of 283.33 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine is sourced from PubChem (CID 116765669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).