4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine

C9H16F3NO2 — CID 61287775

IUPAC4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine
SMILESNCCC(OC1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)8(1-4-13)15-7-2-5-14-6-3-7/h7-8H,1-6,13H2
InChIKeyJJZQTTZZZZXZCC-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds4

About 4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine

4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine (PubChem CID 61287775) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine
PubChem CID61287775
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine
SMILESNCCC(OC1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)8(1-4-13)15-7-2-5-14-6-3-7/h7-8H,1-6,13H2
InChIKeyJJZQTTZZZZXZCC-UHFFFAOYSA-N
XLogP1.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine (CID 61287775) is 4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine is NCCC(OC1CCOCC1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine?
The InChIKey is JJZQTTZZZZXZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)8(1-4-13)15-7-2-5-14-6-3-7/h7-8H,1-6,13H2.
What are the key properties of 4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine?
4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine has a molecular weight of 227.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(oxan-4-yloxy)butan-1-amine is sourced from PubChem (CID 61287775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).