(2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione

C11H5F5O2 — CID 51412322

IUPAC(2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione
SMILESC[C@H]1C(=O)c2c(F)c(F)c(F)c(F)c2C(=O)[C@@H]1F
InChIInChI=1S/C11H5F5O2/c1-2-5(12)11(18)4-3(10(2)17)6(13)8(15)9(16)7(4)14/h2,5H,1H3/t2-,5-/m1/s1
InChIKeyBXXPRZHLICKJRD-DUZGATOHSA-N
MW264.15 g/mol
LogP2.60
Rot. Bonds

About (2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione

(2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione (PubChem CID 51412322) has the molecular formula C11H5F5O2 and a molecular weight of 264.15 g/mol. Its IUPAC name is (2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione.

Molecular Properties

Compound Name(2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione
PubChem CID51412322
Molecular FormulaC11H5F5O2
Molecular Weight264.15 g/mol
Exact Mass264.02
IUPAC Name(2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione
SMILESC[C@H]1C(=O)c2c(F)c(F)c(F)c(F)c2C(=O)[C@@H]1F
InChIInChI=1S/C11H5F5O2/c1-2-5(12)11(18)4-3(10(2)17)6(13)8(15)9(16)7(4)14/h2,5H,1H3/t2-,5-/m1/s1
InChIKeyBXXPRZHLICKJRD-DUZGATOHSA-N
XLogP2.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 45090416
1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 15490453
1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497144
5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione
CID 52918191
1,2,3,4,5-pentafluoro-6-[2,3,6-trifluoro-4,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497136
2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one
CID 11481299
4-fluoro-2,3-dimethyl-2,3-dihydroinden-1-one
CID 79729480
1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)benzene
CID 173093179
3,4-dimethylpyrrolidin-1-ide-2,5-dione;yttrium
CID 59957086
CID 173183827
CID 173183827
1,2,3,4,6,7,8,9-octafluorodibenzoselenophene
CID 633160
4,5,6,7-tetrafluoro-2-(2-oxopropyl)isoindole-1,3-dione
CID 102235342

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione?
The IUPAC name of (2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione (CID 51412322) is (2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione.
What is the SMILES notation for (2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione?
The canonical SMILES for (2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione is C[C@H]1C(=O)c2c(F)c(F)c(F)c(F)c2C(=O)[C@@H]1F.
What is the InChIKey of (2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione?
The InChIKey is BXXPRZHLICKJRD-DUZGATOHSA-N. The full InChI is InChI=1S/C11H5F5O2/c1-2-5(12)11(18)4-3(10(2)17)6(13)8(15)9(16)7(4)14/h2,5H,1H3/t2-,5-/m1/s1.
What are the key properties of (2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione?
(2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione has a molecular weight of 264.15 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,5,6,7,8-pentafluoro-3-methyl-2,3-dihydronaphthalene-1,4-dione is sourced from PubChem (CID 51412322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).