[2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane

C15H19F3NO2P — CID 71095167

IUPAC[2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1ccc(C(F)(F)F)cc1OP)C2
InChIInChI=1S/C15H19F3NO2P/c1-19-10-3-4-11(19)8-12(7-10)20-13-5-2-9(15(16,17)18)6-14(13)21-22/h2,5-6,10-12H,3-4,7-8,22H2,1H3/t10-,11+,12?
InChIKeyNJLNXCFGVPDRSS-FOSCPWQOSA-N
MW333.29 g/mol
LogP3.88
Rot. Bonds3

About [2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane

[2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane (PubChem CID 71095167) has the molecular formula C15H19F3NO2P and a molecular weight of 333.29 g/mol. Its IUPAC name is [2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane.

Molecular Properties

Compound Name[2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane
PubChem CID71095167
Molecular FormulaC15H19F3NO2P
Molecular Weight333.29 g/mol
Exact Mass333.11
IUPAC Name[2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1ccc(C(F)(F)F)cc1OP)C2
InChIInChI=1S/C15H19F3NO2P/c1-19-10-3-4-11(19)8-12(7-10)20-13-5-2-9(15(16,17)18)6-14(13)21-22/h2,5-6,10-12H,3-4,7-8,22H2,1H3/t10-,11+,12?
InChIKeyNJLNXCFGVPDRSS-FOSCPWQOSA-N
XLogP3.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane?
The IUPAC name of [2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane (CID 71095167) is [2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane.
What is the SMILES notation for [2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane?
The canonical SMILES for [2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane is CN1[C@@H]2CC[C@H]1CC(Oc1ccc(C(F)(F)F)cc1OP)C2.
What is the InChIKey of [2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane?
The InChIKey is NJLNXCFGVPDRSS-FOSCPWQOSA-N. The full InChI is InChI=1S/C15H19F3NO2P/c1-19-10-3-4-11(19)8-12(7-10)20-13-5-2-9(15(16,17)18)6-14(13)21-22/h2,5-6,10-12H,3-4,7-8,22H2,1H3/t10-,11+,12?.
What are the key properties of [2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane?
[2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane has a molecular weight of 333.29 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-(trifluoromethyl)phenoxy]phosphane is sourced from PubChem (CID 71095167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).