3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine

C8H14F3NO2 — CID 66275650

IUPAC3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
SMILESCC(OC1COCCC1N)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(8(9,10)11)14-7-4-13-3-2-6(7)12/h5-7H,2-4,12H2,1H3
InChIKeySMJCECNOPYALHJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds2

About 3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine

3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine (PubChem CID 66275650) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
PubChem CID66275650
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
SMILESCC(OC1COCCC1N)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(8(9,10)11)14-7-4-13-3-2-6(7)12/h5-7H,2-4,12H2,1H3
InChIKeySMJCECNOPYALHJ-UHFFFAOYSA-N
XLogP1.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine (CID 66275650) is 3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine is CC(OC1COCCC1N)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
The InChIKey is SMJCECNOPYALHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(8(9,10)11)14-7-4-13-3-2-6(7)12/h5-7H,2-4,12H2,1H3.
What are the key properties of 3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine has a molecular weight of 213.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine is sourced from PubChem (CID 66275650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).