1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene

C14H10F4O — CID 118809599

IUPAC1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene
SMILESCOc1cc(-c2cccc(F)c2F)cc(C(F)F)c1
InChIInChI=1S/C14H10F4O/c1-19-10-6-8(5-9(7-10)14(17)18)11-3-2-4-12(15)13(11)16/h2-7,14H,1H3
InChIKeyBMJUQJFRWVEMKU-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.58
Rot. Bonds3

About 1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene

1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene (PubChem CID 118809599) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene
PubChem CID118809599
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene
SMILESCOc1cc(-c2cccc(F)c2F)cc(C(F)F)c1
InChIInChI=1S/C14H10F4O/c1-19-10-6-8(5-9(7-10)14(17)18)11-3-2-4-12(15)13(11)16/h2-7,14H,1H3
InChIKeyBMJUQJFRWVEMKU-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene?
The IUPAC name of 1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene (CID 118809599) is 1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene.
What is the SMILES notation for 1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene?
The canonical SMILES for 1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene is COc1cc(-c2cccc(F)c2F)cc(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene?
The InChIKey is BMJUQJFRWVEMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-19-10-6-8(5-9(7-10)14(17)18)11-3-2-4-12(15)13(11)16/h2-7,14H,1H3.
What are the key properties of 1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene?
1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene has a molecular weight of 270.23 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene is sourced from PubChem (CID 118809599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).