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

C8H5F5O — CID 23272708

IUPAC1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene
SMILESCOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5O/c1-14-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3
InChIKeyFSZDLTKNKGCHKE-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.53
Rot. Bonds2

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

1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene (PubChem CID 23272708) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene
PubChem CID23272708
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene
SMILESCOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5O/c1-14-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3
InChIKeyFSZDLTKNKGCHKE-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene (CID 23272708) is 1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene is COCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene?
The InChIKey is FSZDLTKNKGCHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c1-14-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene?
1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene has a molecular weight of 212.12 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(methoxymethyl)benzene is sourced from PubChem (CID 23272708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).