1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene

C24H14F12S2 — CID 135273031

IUPAC1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene
SMILESCC(C)c1c(F)c(F)c(Sc2c(F)c(F)c(Sc3c(F)c(F)c(C(C)C)c(F)c3F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24H14F12S2/c1-5(2)7-9(25)13(29)21(14(30)10(7)26)37-23-17(33)19(35)24(20(36)18(23)34)38-22-15(31)11(27)8(6(3)4)12(28)16(22)32/h5-6H,1-4H3
InChIKeyZCSILASPQLZKRD-UHFFFAOYSA-N
MW594.49 g/mol
LogP9.90
Rot. Bonds6

About 1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene

1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene (PubChem CID 135273031) has the molecular formula C24H14F12S2 and a molecular weight of 594.49 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene
PubChem CID135273031
Molecular FormulaC24H14F12S2
Molecular Weight594.49 g/mol
Exact Mass594.03
IUPAC Name1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene
SMILESCC(C)c1c(F)c(F)c(Sc2c(F)c(F)c(Sc3c(F)c(F)c(C(C)C)c(F)c3F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24H14F12S2/c1-5(2)7-9(25)13(29)21(14(30)10(7)26)37-23-17(33)19(35)24(20(36)18(23)34)38-22-15(31)11(27)8(6(3)4)12(28)16(22)32/h5-6H,1-4H3
InChIKeyZCSILASPQLZKRD-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.49
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,5-trifluoro-4-methyl-3-methylsulfanyl-6-propan-2-ylbenzene
CID 170034196
1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene
CID 150741990
1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene
CID 122480972
1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene
CID 177120385
(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phosphonous acid
CID 176944093
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene
CID 87931007
1,3-dichloro-2,4,6-trifluoro-5-propan-2-ylbenzene
CID 170123757
1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene
CID 174123096
1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene
CID 129035319
1,3-dichloro-2,4,5-trifluoro-6-propan-2-ylbenzene
CID 170123735
4-(3,4-diamino-2,5,6-trifluorophenyl)sulfanyl-3,5,6-trifluorobenzene-1,2-diamine
CID 71391291
1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
CID 21113589

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene (CID 135273031) is 1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene is CC(C)c1c(F)c(F)c(Sc2c(F)c(F)c(Sc3c(F)c(F)c(C(C)C)c(F)c3F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene?
The InChIKey is ZCSILASPQLZKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F12S2/c1-5(2)7-9(25)13(29)21(14(30)10(7)26)37-23-17(33)19(35)24(20(36)18(23)34)38-22-15(31)11(27)8(6(3)4)12(28)16(22)32/h5-6H,1-4H3.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene?
1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene has a molecular weight of 594.49 g/mol, XLogP of 9.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene is sourced from PubChem (CID 135273031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).