1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene

C10H10F4O2 — CID 18326977

IUPAC1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene
SMILESCOCc1c(F)c(F)c(COC)c(F)c1F
InChIInChI=1S/C10H10F4O2/c1-15-3-5-7(11)9(13)6(4-16-2)10(14)8(5)12/h3-4H2,1-2H3
InChIKeyQFDZYGZYDVWGDX-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.54
Rot. Bonds4

About 1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene

1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene (PubChem CID 18326977) has the molecular formula C10H10F4O2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene
PubChem CID18326977
Molecular FormulaC10H10F4O2
Molecular Weight238.18 g/mol
Exact Mass238.06
IUPAC Name1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene
SMILESCOCc1c(F)c(F)c(COC)c(F)c1F
InChIInChI=1S/C10H10F4O2/c1-15-3-5-7(11)9(13)6(4-16-2)10(14)8(5)12/h3-4H2,1-2H3
InChIKeyQFDZYGZYDVWGDX-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene (CID 18326977) is 1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene is COCc1c(F)c(F)c(COC)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene?
The InChIKey is QFDZYGZYDVWGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O2/c1-15-3-5-7(11)9(13)6(4-16-2)10(14)8(5)12/h3-4H2,1-2H3.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene?
1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene has a molecular weight of 238.18 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-bis(methoxymethyl)benzene is sourced from PubChem (CID 18326977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).