(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone

C13H2F8O — CID 141431746

IUPAC(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H2F8O/c14-4-2-1-3(6(15)7(4)16)13(22)5-8(17)10(19)12(21)11(20)9(5)18/h1-2H
InChIKeyVTZKTVKBEDRANI-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.03
Rot. Bonds2

About (2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone

(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 141431746) has the molecular formula C13H2F8O and a molecular weight of 326.14 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID141431746
Molecular FormulaC13H2F8O
Molecular Weight326.14 g/mol
Exact Mass326.00
IUPAC Name(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H2F8O/c14-4-2-1-3(6(15)7(4)16)13(22)5-8(17)10(19)12(21)11(20)9(5)18/h1-2H
InChIKeyVTZKTVKBEDRANI-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.03
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

(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 105349314
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963924
(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 114972600
(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
CID 114971637
(2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone
CID 107935421
(4-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 112694186
(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749848

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone (CID 141431746) is (2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone is O=C(c1ccc(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is VTZKTVKBEDRANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H2F8O/c14-4-2-1-3(6(15)7(4)16)13(22)5-8(17)10(19)12(21)11(20)9(5)18/h1-2H.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone?
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 326.14 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 141431746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).