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

C14H9F5O — CID 134628428

IUPAC1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
SMILESCOc1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1C
InChIInChI=1S/C14H9F5O/c1-6-5-7(3-4-8(6)20-2)9-10(15)12(17)14(19)13(18)11(9)16/h3-5H,1-2H3
InChIKeyPHBQLSJRSSCPQN-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.37
Rot. Bonds2

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

1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene (PubChem CID 134628428) has the molecular formula C14H9F5O and a molecular weight of 288.22 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
PubChem CID134628428
Molecular FormulaC14H9F5O
Molecular Weight288.22 g/mol
Exact Mass288.06
IUPAC Name1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
SMILESCOc1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1C
InChIInChI=1S/C14H9F5O/c1-6-5-7(3-4-8(6)20-2)9-10(15)12(17)14(19)13(18)11(9)16/h3-5H,1-2H3
InChIKeyPHBQLSJRSSCPQN-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.37
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-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
CID 102261730
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline
CID 173364392
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397
4-(4-methoxy-3-methylphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82079241
ethane;1,2,3,4,5-pentafluoro-6-(2-methoxy-5-methylphenyl)benzene
CID 144565369
1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene
CID 177012995
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
1-[3-methoxy-2-[[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121384769
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)phenyl]benzene
CID 102219520
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene (CID 134628428) is 1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene is COc1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1C.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene?
The InChIKey is PHBQLSJRSSCPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5O/c1-6-5-7(3-4-8(6)20-2)9-10(15)12(17)14(19)13(18)11(9)16/h3-5H,1-2H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene?
1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene has a molecular weight of 288.22 g/mol, XLogP of 4.37, 2 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-(4-methoxy-3-methylphenyl)benzene is sourced from PubChem (CID 134628428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).