3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one

C17H25FNOP — CID 167292606

IUPAC3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one
SMILESCc1cc(C2CCCC(=O)C2)c(F)c(N(C)PC(C)C)c1
InChIInChI=1S/C17H25FNOP/c1-11(2)21-19(4)16-9-12(3)8-15(17(16)18)13-6-5-7-14(20)10-13/h8-9,11,13,21H,5-7,10H2,1-4H3
InChIKeyGLXFVRLJBOOENK-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.80
Rot. Bonds4

About 3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one

3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one (PubChem CID 167292606) has the molecular formula C17H25FNOP and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one
PubChem CID167292606
Molecular FormulaC17H25FNOP
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one
SMILESCc1cc(C2CCCC(=O)C2)c(F)c(N(C)PC(C)C)c1
InChIInChI=1S/C17H25FNOP/c1-11(2)21-19(4)16-9-12(3)8-15(17(16)18)13-6-5-7-14(20)10-13/h8-9,11,13,21H,5-7,10H2,1-4H3
InChIKeyGLXFVRLJBOOENK-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one?
The IUPAC name of 3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one (CID 167292606) is 3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one.
What is the SMILES notation for 3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one?
The canonical SMILES for 3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one is Cc1cc(C2CCCC(=O)C2)c(F)c(N(C)PC(C)C)c1.
What is the InChIKey of 3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one?
The InChIKey is GLXFVRLJBOOENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FNOP/c1-11(2)21-19(4)16-9-12(3)8-15(17(16)18)13-6-5-7-14(20)10-13/h8-9,11,13,21H,5-7,10H2,1-4H3.
What are the key properties of 3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one?
3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one has a molecular weight of 309.37 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one is sourced from PubChem (CID 167292606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).