1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene

C13H8F4O — CID 102110904

IUPAC1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C13H8F4O/c1-7-2-4-8(5-3-7)18-13-11(16)9(14)6-10(15)12(13)17/h2-6H,1H3
InChIKeyYBTMNRLGERHEPR-UHFFFAOYSA-N
MW256.20 g/mol
LogP4.34
Rot. Bonds2

About 1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene

1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene (PubChem CID 102110904) has the molecular formula C13H8F4O and a molecular weight of 256.20 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene
PubChem CID102110904
Molecular FormulaC13H8F4O
Molecular Weight256.20 g/mol
Exact Mass256.05
IUPAC Name1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C13H8F4O/c1-7-2-4-8(5-3-7)18-13-11(16)9(14)6-10(15)12(13)17/h2-6H,1H3
InChIKeyYBTMNRLGERHEPR-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3,5,6-tetrafluorophenoxy)aniline
CID 102133014
3,4-difluoro-2-(4-methylphenoxy)benzaldehyde
CID 86652967
[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 63077354
5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene
CID 123903302
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline
CID 103290318
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
CID 54083625
4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol
CID 144813856
3-fluoro-2-(4-methylphenoxy)benzoic acid
CID 62650788
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene (CID 102110904) is 1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene is Cc1ccc(Oc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene?
The InChIKey is YBTMNRLGERHEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O/c1-7-2-4-8(5-3-7)18-13-11(16)9(14)6-10(15)12(13)17/h2-6H,1H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene?
1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene has a molecular weight of 256.20 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene is sourced from PubChem (CID 102110904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).