1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene

C18H6F8 — CID 157170971

IUPAC1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2cccc(F)c2F)c1
InChIInChI=1S/C18H6F8/c19-7-4-5-8(10(6-7)9-2-1-3-11(20)13(9)21)12-14(22)16(24)18(26)17(25)15(12)23/h1-6H
InChIKeyANLNZDGTTJDJEP-UHFFFAOYSA-N
MW374.23 g/mol
LogP6.13
Rot. Bonds2

About 1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene

1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 157170971) has the molecular formula C18H6F8 and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID157170971
Molecular FormulaC18H6F8
Molecular Weight374.23 g/mol
Exact Mass374.03
IUPAC Name1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2cccc(F)c2F)c1
InChIInChI=1S/C18H6F8/c19-7-4-5-8(10(6-7)9-2-1-3-11(20)13(9)21)12-14(22)16(24)18(26)17(25)15(12)23/h1-6H
InChIKeyANLNZDGTTJDJEP-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.23
LogP ≤ 56.13
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

1-[2-(bromomethyl)-4-fluorophenyl]-2,3-difluorobenzene
CID 134619357
1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene
CID 118838147
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2-(2,3-difluorophenyl)-4-fluorobenzamide
CID 134628957
1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 175418212
2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine
CID 133089036
2,6-bis(2,3-difluorophenyl)-4-fluoropyridine
CID 133088897
(Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid
CID 134627735
methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
1,2,3,4,9,10,11,12-octafluorotetraphenylene
CID 59855591
1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene
CID 161120611

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene (CID 157170971) is 1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene is Fc1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(-c2cccc(F)c2F)c1.
What is the InChIKey of 1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is ANLNZDGTTJDJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F8/c19-7-4-5-8(10(6-7)9-2-1-3-11(20)13(9)21)12-14(22)16(24)18(26)17(25)15(12)23/h1-6H.
What are the key properties of 1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene?
1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 374.23 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 157170971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).