1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid

C19H26F4N3O5P — CID 166794219

IUPAC1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccnc(C(F)F)c2)nc1C(F)F.O=P(O)(O)O
InChIInChI=1S/C19H23F4N3O.H3O4P/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21;1-5(2,3)4/h4-8,11,17-18H,9-10,24H2,1-3H3;(H3,1,2,3,4)
InChIKeyDLAFBNCHQPTHEZ-UHFFFAOYSA-N
MW483.40 g/mol
LogP4.23
Rot. Bonds8

About 1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid

1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid (PubChem CID 166794219) has the molecular formula C19H26F4N3O5P and a molecular weight of 483.40 g/mol. Its IUPAC name is 1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid.

Molecular Properties

Compound Name1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid
PubChem CID166794219
Molecular FormulaC19H26F4N3O5P
Molecular Weight483.40 g/mol
Exact Mass483.15
IUPAC Name1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccnc(C(F)F)c2)nc1C(F)F.O=P(O)(O)O
InChIInChI=1S/C19H23F4N3O.H3O4P/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21;1-5(2,3)4/h4-8,11,17-18H,9-10,24H2,1-3H3;(H3,1,2,3,4)
InChIKeyDLAFBNCHQPTHEZ-UHFFFAOYSA-N
XLogP4.23
TPSA138.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid?
The IUPAC name of 1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid (CID 166794219) is 1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid.
What is the SMILES notation for 1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid?
The canonical SMILES for 1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid is CC(C)CC(C)(N)COc1ccc(-c2ccnc(C(F)F)c2)nc1C(F)F.O=P(O)(O)O.
What is the InChIKey of 1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid?
The InChIKey is DLAFBNCHQPTHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F4N3O.H3O4P/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21;1-5(2,3)4/h4-8,11,17-18H,9-10,24H2,1-3H3;(H3,1,2,3,4).
What are the key properties of 1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid?
1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid has a molecular weight of 483.40 g/mol, XLogP of 4.23, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid is sourced from PubChem (CID 166794219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).