[4-(difluoromethoxymethyl)oxan-4-yl]methanamine

C8H15F2NO2 — CID 130194717

IUPAC[4-(difluoromethoxymethyl)oxan-4-yl]methanamine
SMILESNCC1(COC(F)F)CCOCC1
InChIInChI=1S/C8H15F2NO2/c9-7(10)13-6-8(5-11)1-3-12-4-2-8/h7H,1-6,11H2
InChIKeyUXNTUIPOEYZMLI-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.98
Rot. Bonds4

About [4-(difluoromethoxymethyl)oxan-4-yl]methanamine

[4-(difluoromethoxymethyl)oxan-4-yl]methanamine (PubChem CID 130194717) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is [4-(difluoromethoxymethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethoxymethyl)oxan-4-yl]methanamine
PubChem CID130194717
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name[4-(difluoromethoxymethyl)oxan-4-yl]methanamine
SMILESNCC1(COC(F)F)CCOCC1
InChIInChI=1S/C8H15F2NO2/c9-7(10)13-6-8(5-11)1-3-12-4-2-8/h7H,1-6,11H2
InChIKeyUXNTUIPOEYZMLI-UHFFFAOYSA-N
XLogP0.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxymethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(difluoromethoxymethyl)oxan-4-yl]methanamine (CID 130194717) is [4-(difluoromethoxymethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(difluoromethoxymethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(difluoromethoxymethyl)oxan-4-yl]methanamine is NCC1(COC(F)F)CCOCC1.
What is the InChIKey of [4-(difluoromethoxymethyl)oxan-4-yl]methanamine?
The InChIKey is UXNTUIPOEYZMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c9-7(10)13-6-8(5-11)1-3-12-4-2-8/h7H,1-6,11H2.
What are the key properties of [4-(difluoromethoxymethyl)oxan-4-yl]methanamine?
[4-(difluoromethoxymethyl)oxan-4-yl]methanamine has a molecular weight of 195.21 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxymethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 130194717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).