4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine

C8H14F3NO2 — CID 106706455

IUPAC4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine
SMILESNC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)6-14-5-7(12)1-3-13-4-2-7/h1-6,12H2
InChIKeyUJLYWXKOIXYWII-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds3

About 4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine

4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine (PubChem CID 106706455) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine
PubChem CID106706455
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine
SMILESNC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)6-14-5-7(12)1-3-13-4-2-7/h1-6,12H2
InChIKeyUJLYWXKOIXYWII-UHFFFAOYSA-N
XLogP1.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine (CID 106706455) is 4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine is NC1(COCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine?
The InChIKey is UJLYWXKOIXYWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)6-14-5-7(12)1-3-13-4-2-7/h1-6,12H2.
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine?
4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine has a molecular weight of 213.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)oxan-4-amine is sourced from PubChem (CID 106706455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).