1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C10H17F4NO2 — CID 103474890

IUPAC1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)C1CCOCC1
InChIInChI=1S/C10H17F4NO2/c11-9(12)10(13,14)6-17-5-8(15)7-1-3-16-4-2-7/h7-9H,1-6,15H2
InChIKeyTUBMITDDWYZFMJ-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.66
Rot. Bonds6

About 1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103474890) has the molecular formula C10H17F4NO2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103474890
Molecular FormulaC10H17F4NO2
Molecular Weight259.24 g/mol
Exact Mass259.12
IUPAC Name1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)F)C1CCOCC1
InChIInChI=1S/C10H17F4NO2/c11-9(12)10(13,14)6-17-5-8(15)7-1-3-16-4-2-7/h7-9H,1-6,15H2
InChIKeyTUBMITDDWYZFMJ-UHFFFAOYSA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103474890) is 1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is NC(COCC(F)(F)C(F)F)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is TUBMITDDWYZFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO2/c11-9(12)10(13,14)6-17-5-8(15)7-1-3-16-4-2-7/h7-9H,1-6,15H2.
What are the key properties of 1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 259.24 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103474890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).