5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine

C11H20F3NO2 — CID 116764437

IUPAC5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine
SMILESCOC1(C(N)CCCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H20F3NO2/c1-16-10(5-7-17-8-6-10)9(15)3-2-4-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyHMWPYQYXYLYZPY-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds5

About 5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine

5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine (PubChem CID 116764437) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine
PubChem CID116764437
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine
SMILESCOC1(C(N)CCCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H20F3NO2/c1-16-10(5-7-17-8-6-10)9(15)3-2-4-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyHMWPYQYXYLYZPY-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine
CID 116764422
4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 116766176
1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 116765669
1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine
CID 116764425
1-(4-methoxyoxan-4-yl)undecan-1-ol
CID 116753924
1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine
CID 114190361
1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103036117
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613
1-(1-methoxycyclopentyl)heptan-1-amine
CID 104610578
4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-ol
CID 116710452
1-(1-methoxycycloheptyl)hexan-1-amine
CID 116769766
1-(4-methoxyoxan-4-yl)ethanol
CID 116753835

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine (CID 116764437) is 5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine is COC1(C(N)CCCC(F)(F)F)CCOCC1.
What is the InChIKey of 5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine?
The InChIKey is HMWPYQYXYLYZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-16-10(5-7-17-8-6-10)9(15)3-2-4-11(12,13)14/h9H,2-8,15H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine?
5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine is sourced from PubChem (CID 116764437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).