1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene

C13H7F5 — CID 46314099

IUPAC1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene
SMILESCc1c(F)c(F)c(-c2ccccc2F)c(F)c1F
InChIInChI=1S/C13H7F5/c1-6-10(15)12(17)9(13(18)11(6)16)7-4-2-3-5-8(7)14/h2-5H,1H3
InChIKeyYOLAJGLHPQJXOC-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.36
Rot. Bonds1

About 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene

1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene (PubChem CID 46314099) has the molecular formula C13H7F5 and a molecular weight of 258.19 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene
PubChem CID46314099
Molecular FormulaC13H7F5
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene
SMILESCc1c(F)c(F)c(-c2ccccc2F)c(F)c1F
InChIInChI=1S/C13H7F5/c1-6-10(15)12(17)9(13(18)11(6)16)7-4-2-3-5-8(7)14/h2-5H,1H3
InChIKeyYOLAJGLHPQJXOC-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,4,5-tetrafluoro-3-methyl-6-[2-(trifluoromethyl)phenyl]benzene
CID 134628456
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
2,3,5,6-tetrafluoro-4-(2-fluorophenyl)pyridine
CID 46313127
1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 175418212
N-(fluoromethyl)ethanamine;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene
CID 87883131
4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine
CID 141297487
9,10-bis(2-fluorophenyl)anthracene
CID 101446406
3-amino-3-[2,4,6-trifluoro-3-(2-fluorophenyl)-5-methylphenyl]propanoic acid
CID 175440601
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
CID 125457696
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2-fluoro-3-(2-fluorophenyl)-4-methylpyridine
CID 46312589

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene (CID 46314099) is 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene is Cc1c(F)c(F)c(-c2ccccc2F)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene?
The InChIKey is YOLAJGLHPQJXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5/c1-6-10(15)12(17)9(13(18)11(6)16)7-4-2-3-5-8(7)14/h2-5H,1H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene?
1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene has a molecular weight of 258.19 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene is sourced from PubChem (CID 46314099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).