1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene

C19H11F5O — CID 139240862

IUPAC1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
SMILESCOc1ccc(-c2ccccc2-c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C19H11F5O/c1-25-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14-15(20)17(22)19(24)18(23)16(14)21/h2-9H,1H3
InChIKeyYXEXZJSWIOIZRD-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.72
Rot. Bonds3

About 1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene

1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene (PubChem CID 139240862) has the molecular formula C19H11F5O and a molecular weight of 350.29 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
PubChem CID139240862
Molecular FormulaC19H11F5O
Molecular Weight350.29 g/mol
Exact Mass350.07
IUPAC Name1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
SMILESCOc1ccc(-c2ccccc2-c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C19H11F5O/c1-25-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14-15(20)17(22)19(24)18(23)16(14)21/h2-9H,1H3
InChIKeyYXEXZJSWIOIZRD-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.72
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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Related Compounds

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)phenyl]benzene
CID 102219520
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene
CID 178069232
1,2,3,4,9,10,11,12-octafluorotetraphenylene
CID 59855591
1,3-bis(4-methoxyphenyl)-2-methylsulfanylbenzene
CID 50916407
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1-tert-butyl-2-(4-methoxyphenyl)benzene
CID 58663059
2-(4-methoxyphenyl)-N-methylaniline
CID 12555620
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene (CID 139240862) is 1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene is COc1ccc(-c2ccccc2-c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene?
The InChIKey is YXEXZJSWIOIZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5O/c1-25-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14-15(20)17(22)19(24)18(23)16(14)21/h2-9H,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene?
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene has a molecular weight of 350.29 g/mol, XLogP of 5.72, 3 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-[2-(4-methoxyphenyl)phenyl]benzene is sourced from PubChem (CID 139240862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).