5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one

C14H9BrF5NO2 — CID 172681034

IUPAC5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one
SMILESCn1cc(Oc2c(C(F)F)cc(F)cc2C(F)F)c(Br)cc1=O
InChIInChI=1S/C14H9BrF5NO2/c1-21-5-10(9(15)4-11(21)22)23-12-7(13(17)18)2-6(16)3-8(12)14(19)20/h2-5,13-14H,1H3
InChIKeyAKAZDGNMFGTMFE-UHFFFAOYSA-N
MW398.13 g/mol
LogP4.95
Rot. Bonds4

About 5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one

5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one (PubChem CID 172681034) has the molecular formula C14H9BrF5NO2 and a molecular weight of 398.13 g/mol. Its IUPAC name is 5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one
PubChem CID172681034
Molecular FormulaC14H9BrF5NO2
Molecular Weight398.13 g/mol
Exact Mass396.97
IUPAC Name5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one
SMILESCn1cc(Oc2c(C(F)F)cc(F)cc2C(F)F)c(Br)cc1=O
InChIInChI=1S/C14H9BrF5NO2/c1-21-5-10(9(15)4-11(21)22)23-12-7(13(17)18)2-6(16)3-8(12)14(19)20/h2-5,13-14H,1H3
InChIKeyAKAZDGNMFGTMFE-UHFFFAOYSA-N
XLogP4.95
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.13
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one?
The IUPAC name of 5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one (CID 172681034) is 5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one?
The canonical SMILES for 5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one is Cn1cc(Oc2c(C(F)F)cc(F)cc2C(F)F)c(Br)cc1=O.
What is the InChIKey of 5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one?
The InChIKey is AKAZDGNMFGTMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF5NO2/c1-21-5-10(9(15)4-11(21)22)23-12-7(13(17)18)2-6(16)3-8(12)14(19)20/h2-5,13-14H,1H3.
What are the key properties of 5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one?
5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one has a molecular weight of 398.13 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-bis(difluoromethyl)-4-fluorophenoxy]-4-bromo-1-methylpyridin-2-one is sourced from PubChem (CID 172681034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).