2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol

C15H13Cl2F2NO3 — CID 70454195

IUPAC2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol
SMILESCC(CO)Oc1ccc(Oc2ncc(Cl)c(C(F)F)c2Cl)cc1
InChIInChI=1S/C15H13Cl2F2NO3/c1-8(7-21)22-9-2-4-10(5-3-9)23-15-13(17)12(14(18)19)11(16)6-20-15/h2-6,8,14,21H,7H2,1H3
InChIKeyREUFBEAUDFSATE-UHFFFAOYSA-N
MW364.18 g/mol
LogP4.88
Rot. Bonds6

About 2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol

2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol (PubChem CID 70454195) has the molecular formula C15H13Cl2F2NO3 and a molecular weight of 364.18 g/mol. Its IUPAC name is 2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol
PubChem CID70454195
Molecular FormulaC15H13Cl2F2NO3
Molecular Weight364.18 g/mol
Exact Mass363.02
IUPAC Name2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol
SMILESCC(CO)Oc1ccc(Oc2ncc(Cl)c(C(F)F)c2Cl)cc1
InChIInChI=1S/C15H13Cl2F2NO3/c1-8(7-21)22-9-2-4-10(5-3-9)23-15-13(17)12(14(18)19)11(16)6-20-15/h2-6,8,14,21H,7H2,1H3
InChIKeyREUFBEAUDFSATE-UHFFFAOYSA-N
XLogP4.88
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol?
The IUPAC name of 2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol (CID 70454195) is 2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol.
What is the SMILES notation for 2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol?
The canonical SMILES for 2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol is CC(CO)Oc1ccc(Oc2ncc(Cl)c(C(F)F)c2Cl)cc1.
What is the InChIKey of 2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol?
The InChIKey is REUFBEAUDFSATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO3/c1-8(7-21)22-9-2-4-10(5-3-9)23-15-13(17)12(14(18)19)11(16)6-20-15/h2-6,8,14,21H,7H2,1H3.
What are the key properties of 2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol?
2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol has a molecular weight of 364.18 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]oxy]phenoxy]propan-1-ol is sourced from PubChem (CID 70454195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).