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

C13H6F6 — CID 118595772

IUPAC1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
SMILESCc1c(F)c(F)c(-c2ccc(F)c(F)c2)c(F)c1F
InChIInChI=1S/C13H6F6/c1-5-10(16)12(18)9(13(19)11(5)17)6-2-3-7(14)8(15)4-6/h2-4H,1H3
InChIKeyXTEUDRKCSOOMBF-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.50
Rot. Bonds1

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

1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene (PubChem CID 118595772) has the molecular formula C13H6F6 and a molecular weight of 276.18 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
PubChem CID118595772
Molecular FormulaC13H6F6
Molecular Weight276.18 g/mol
Exact Mass276.04
IUPAC Name1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
SMILESCc1c(F)c(F)c(-c2ccc(F)c(F)c2)c(F)c1F
InChIInChI=1S/C13H6F6/c1-5-10(16)12(18)9(13(19)11(5)17)6-2-3-7(14)8(15)4-6/h2-4H,1H3
InChIKeyXTEUDRKCSOOMBF-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.50
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-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 134623637
1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene
CID 134628457
1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene
CID 146564682
2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline
CID 118835632
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene
CID 87458156
1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
CID 134628428
1,2,4-trifluoro-5-methyl-3,6-bis(4-methylphenyl)benzene
CID 144582463
[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol
CID 172876855
1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
CID 102261730
4-(3,4-difluorophenyl)-2-methylfuran
CID 69480889
4-(3,4-difluorophenyl)-2,5-dimethyl-1H-pyrazol-3-one
CID 165457712

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene?
The IUPAC name of 1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene (CID 118595772) is 1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene?
The canonical SMILES for 1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene is Cc1c(F)c(F)c(-c2ccc(F)c(F)c2)c(F)c1F.
What is the InChIKey of 1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene?
The InChIKey is XTEUDRKCSOOMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6/c1-5-10(16)12(18)9(13(19)11(5)17)6-2-3-7(14)8(15)4-6/h2-4H,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene?
1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene has a molecular weight of 276.18 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene is sourced from PubChem (CID 118595772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).