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

C13H6F6 — CID 134617358

IUPAC1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene
SMILESCc1ccc(F)c(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C13H6F6/c1-5-2-3-7(14)6(4-5)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3
InChIKeyAXMFMEZAPLMERH-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.50
Rot. Bonds1

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

1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene (PubChem CID 134617358) has the molecular formula C13H6F6 and a molecular weight of 276.18 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene
PubChem CID134617358
Molecular FormulaC13H6F6
Molecular Weight276.18 g/mol
Exact Mass276.04
IUPAC Name1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene
SMILESCc1ccc(F)c(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C13H6F6/c1-5-2-3-7(14)6(4-5)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3
InChIKeyAXMFMEZAPLMERH-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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580
ethane;1,2,3,4,5-pentafluoro-6-(2-methoxy-5-methylphenyl)benzene
CID 144565369
1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene
CID 169173470
1-[5-(difluoromethyl)-2-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 134630004
4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne
CID 155425343
4-(2-fluoro-5-methylphenyl)pyridine
CID 46317281
2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile
CID 172915416
2-(2,5-difluorophenyl)-4-methylphenol
CID 83129807
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
2-(2-bromophenyl)-1-fluoro-4-methylbenzene
CID 90775083
2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene
CID 58987000
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene (CID 134617358) is 1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene is Cc1ccc(F)c(-c2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene?
The InChIKey is AXMFMEZAPLMERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6/c1-5-2-3-7(14)6(4-5)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene?
1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene 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 1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene is sourced from PubChem (CID 134617358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).