1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine

C8H15F2NO — CID 171531417

IUPAC1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine
SMILESCNCC1CCC(F)(F)C(C)O1
InChIInChI=1S/C8H15F2NO/c1-6-8(9,10)4-3-7(12-6)5-11-2/h6-7,11H,3-5H2,1-2H3
InChIKeyZODUGWAGTNZKMB-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds2

About 1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine

1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine (PubChem CID 171531417) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine
PubChem CID171531417
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine
SMILESCNCC1CCC(F)(F)C(C)O1
InChIInChI=1S/C8H15F2NO/c1-6-8(9,10)4-3-7(12-6)5-11-2/h6-7,11H,3-5H2,1-2H3
InChIKeyZODUGWAGTNZKMB-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine (CID 171531417) is 1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine is CNCC1CCC(F)(F)C(C)O1.
What is the InChIKey of 1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine?
The InChIKey is ZODUGWAGTNZKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-8(9,10)4-3-7(12-6)5-11-2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine?
1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 171531417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).