5,5-difluoro-N-(2-methylpropyl)oxan-3-amine

C9H17F2NO — CID 176977083

IUPAC5,5-difluoro-N-(2-methylpropyl)oxan-3-amine
SMILESCC(C)CNC1COCC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)4-12-8-3-9(10,11)6-13-5-8/h7-8,12H,3-6H2,1-2H3
InChIKeyCVYNGDXFKLLAEV-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.66
Rot. Bonds3

About 5,5-difluoro-N-(2-methylpropyl)oxan-3-amine

5,5-difluoro-N-(2-methylpropyl)oxan-3-amine (PubChem CID 176977083) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 5,5-difluoro-N-(2-methylpropyl)oxan-3-amine.

Molecular Properties

Compound Name5,5-difluoro-N-(2-methylpropyl)oxan-3-amine
PubChem CID176977083
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name5,5-difluoro-N-(2-methylpropyl)oxan-3-amine
SMILESCC(C)CNC1COCC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)4-12-8-3-9(10,11)6-13-5-8/h7-8,12H,3-6H2,1-2H3
InChIKeyCVYNGDXFKLLAEV-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.66
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-(2-methylpropyl)oxan-3-amine?
The IUPAC name of 5,5-difluoro-N-(2-methylpropyl)oxan-3-amine (CID 176977083) is 5,5-difluoro-N-(2-methylpropyl)oxan-3-amine.
What is the SMILES notation for 5,5-difluoro-N-(2-methylpropyl)oxan-3-amine?
The canonical SMILES for 5,5-difluoro-N-(2-methylpropyl)oxan-3-amine is CC(C)CNC1COCC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-N-(2-methylpropyl)oxan-3-amine?
The InChIKey is CVYNGDXFKLLAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)4-12-8-3-9(10,11)6-13-5-8/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 5,5-difluoro-N-(2-methylpropyl)oxan-3-amine?
5,5-difluoro-N-(2-methylpropyl)oxan-3-amine has a molecular weight of 193.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N-(2-methylpropyl)oxan-3-amine is sourced from PubChem (CID 176977083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).