N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine

C9H17F2NO — CID 130652150

IUPACN-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine
SMILESCC(C)(NC1CCOCC1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-9(2,8(10)11)12-7-3-5-13-6-4-7/h7-8,12H,3-6H2,1-2H3
InChIKeyWYDDQWUFBCSAIA-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds3

About N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine

N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine (PubChem CID 130652150) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine
PubChem CID130652150
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC NameN-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine
SMILESCC(C)(NC1CCOCC1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-9(2,8(10)11)12-7-3-5-13-6-4-7/h7-8,12H,3-6H2,1-2H3
InChIKeyWYDDQWUFBCSAIA-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine?
The IUPAC name of N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine (CID 130652150) is N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine.
What is the SMILES notation for N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine?
The canonical SMILES for N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine is CC(C)(NC1CCOCC1)C(F)F.
What is the InChIKey of N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine?
The InChIKey is WYDDQWUFBCSAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-9(2,8(10)11)12-7-3-5-13-6-4-7/h7-8,12H,3-6H2,1-2H3.
What are the key properties of N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine?
N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoro-2-methylpropan-2-yl)oxan-4-amine is sourced from PubChem (CID 130652150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).