1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene

C10H12F2O3 — CID 54431486

IUPAC1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene
SMILESCOc1c(C)c(OC)c(F)c(OC)c1F
InChIInChI=1S/C10H12F2O3/c1-5-8(13-2)6(11)10(15-4)7(12)9(5)14-3/h1-4H3
InChIKeyXSNPVWJXGKVFOS-UHFFFAOYSA-N
MW218.20 g/mol
LogP2.30
Rot. Bonds3

About 1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene

1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene (PubChem CID 54431486) has the molecular formula C10H12F2O3 and a molecular weight of 218.20 g/mol. Its IUPAC name is 1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene.

Molecular Properties

Compound Name1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene
PubChem CID54431486
Molecular FormulaC10H12F2O3
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene
SMILESCOc1c(C)c(OC)c(F)c(OC)c1F
InChIInChI=1S/C10H12F2O3/c1-5-8(13-2)6(11)10(15-4)7(12)9(5)14-3/h1-4H3
InChIKeyXSNPVWJXGKVFOS-UHFFFAOYSA-N
XLogP2.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene?
The IUPAC name of 1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene (CID 54431486) is 1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene.
What is the SMILES notation for 1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene?
The canonical SMILES for 1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene is COc1c(C)c(OC)c(F)c(OC)c1F.
What is the InChIKey of 1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene?
The InChIKey is XSNPVWJXGKVFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3/c1-5-8(13-2)6(11)10(15-4)7(12)9(5)14-3/h1-4H3.
What are the key properties of 1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene?
1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene has a molecular weight of 218.20 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2,4,6-trimethoxy-5-methylbenzene is sourced from PubChem (CID 54431486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).