4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane

C9H15F2NO2P2 — CID 170077900

IUPAC4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane
SMILESCP(C)Oc1cc(OC(F)F)ccc1N.P
InChIInChI=1S/C9H12F2NO2P.H3P/c1-15(2)14-8-5-6(13-9(10)11)3-4-7(8)12;/h3-5,9H,12H2,1-2H3;1H3
InChIKeyIAFZJKYXXQEIHC-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.96
Rot. Bonds4

About 4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane

4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane (PubChem CID 170077900) has the molecular formula C9H15F2NO2P2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane
PubChem CID170077900
Molecular FormulaC9H15F2NO2P2
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC Name4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane
SMILESCP(C)Oc1cc(OC(F)F)ccc1N.P
InChIInChI=1S/C9H12F2NO2P.H3P/c1-15(2)14-8-5-6(13-9(10)11)3-4-7(8)12;/h3-5,9H,12H2,1-2H3;1H3
InChIKeyIAFZJKYXXQEIHC-UHFFFAOYSA-N
XLogP2.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane?
The IUPAC name of 4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane (CID 170077900) is 4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane.
What is the SMILES notation for 4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane?
The canonical SMILES for 4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane is CP(C)Oc1cc(OC(F)F)ccc1N.P.
What is the InChIKey of 4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane?
The InChIKey is IAFZJKYXXQEIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2NO2P.H3P/c1-15(2)14-8-5-6(13-9(10)11)3-4-7(8)12;/h3-5,9H,12H2,1-2H3;1H3.
What are the key properties of 4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane?
4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane has a molecular weight of 269.17 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-dimethylphosphanyloxyaniline;phosphane is sourced from PubChem (CID 170077900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).