5,5-difluoro-N-propan-2-yloxan-3-amine

C8H15F2NO — CID 176977113

IUPAC5,5-difluoro-N-propan-2-yloxan-3-amine
SMILESCC(C)NC1COCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-7-3-8(9,10)5-12-4-7/h6-7,11H,3-5H2,1-2H3
InChIKeyNKJSMORBBUYKIZ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds2

About 5,5-difluoro-N-propan-2-yloxan-3-amine

5,5-difluoro-N-propan-2-yloxan-3-amine (PubChem CID 176977113) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 5,5-difluoro-N-propan-2-yloxan-3-amine.

Molecular Properties

Compound Name5,5-difluoro-N-propan-2-yloxan-3-amine
PubChem CID176977113
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name5,5-difluoro-N-propan-2-yloxan-3-amine
SMILESCC(C)NC1COCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-7-3-8(9,10)5-12-4-7/h6-7,11H,3-5H2,1-2H3
InChIKeyNKJSMORBBUYKIZ-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 5,5-difluoro-N-propan-2-yloxan-3-amine?
The IUPAC name of 5,5-difluoro-N-propan-2-yloxan-3-amine (CID 176977113) is 5,5-difluoro-N-propan-2-yloxan-3-amine.
What is the SMILES notation for 5,5-difluoro-N-propan-2-yloxan-3-amine?
The canonical SMILES for 5,5-difluoro-N-propan-2-yloxan-3-amine is CC(C)NC1COCC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-N-propan-2-yloxan-3-amine?
The InChIKey is NKJSMORBBUYKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)11-7-3-8(9,10)5-12-4-7/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 5,5-difluoro-N-propan-2-yloxan-3-amine?
5,5-difluoro-N-propan-2-yloxan-3-amine 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 5,5-difluoro-N-propan-2-yloxan-3-amine is sourced from PubChem (CID 176977113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).