trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide

C8H10F5NO3 — CID 163731205

IUPACtrans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide
SMILESO=C([NH+]([O-])[C@@H]1[C@H](O)CCCC1(F)F)C(F)(F)F
InChIInChI=1S/C8H10F5NO3/c9-7(10)3-1-2-4(15)5(7)14(17)6(16)8(11,12)13/h4-5,14-15H,1-3H2/t4-,5-/m1/s1
InChIKeyKZRTVURHNCETOC-RFZPGFLSSA-N
MW263.16 g/mol
LogP0.01
Rot. Bonds1

About trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide

trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide (PubChem CID 163731205) has the molecular formula C8H10F5NO3 and a molecular weight of 263.16 g/mol. Its IUPAC name is trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide.

Molecular Properties

Compound Nametrans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide
PubChem CID163731205
Molecular FormulaC8H10F5NO3
Molecular Weight263.16 g/mol
Exact Mass263.06
IUPAC Nametrans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide
SMILESO=C([NH+]([O-])[C@@H]1[C@H](O)CCCC1(F)F)C(F)(F)F
InChIInChI=1S/C8H10F5NO3/c9-7(10)3-1-2-4(15)5(7)14(17)6(16)8(11,12)13/h4-5,14-15H,1-3H2/t4-,5-/m1/s1
InChIKeyKZRTVURHNCETOC-RFZPGFLSSA-N
XLogP0.01
TPSA64.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide?
The IUPAC name of trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide (CID 163731205) is trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide.
What is the SMILES notation for trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide?
The canonical SMILES for trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide is O=C([NH+]([O-])[C@@H]1[C@H](O)CCCC1(F)F)C(F)(F)F.
What is the InChIKey of trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide?
The InChIKey is KZRTVURHNCETOC-RFZPGFLSSA-N. The full InChI is InChI=1S/C8H10F5NO3/c9-7(10)3-1-2-4(15)5(7)14(17)6(16)8(11,12)13/h4-5,14-15H,1-3H2/t4-,5-/m1/s1.
What are the key properties of trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide?
trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide has a molecular weight of 263.16 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,6R)-2,2-difluoro-6-hydroxy-N-(2,2,2-trifluoroacetyl)cyclohexan-1-amine oxide is sourced from PubChem (CID 163731205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).