1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene

C17H12F8 — CID 174123096

IUPAC1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene
SMILESCCc1c(F)c(F)c(-c2c(F)c(F)c(C(C)C)c(F)c2F)c(F)c1F
InChIInChI=1S/C17H12F8/c1-4-6-10(18)14(22)8(15(23)11(6)19)9-16(24)12(20)7(5(2)3)13(21)17(9)25/h5H,4H2,1-3H3
InChIKeyBPTUCMFGLIHXAG-UHFFFAOYSA-N
MW368.27 g/mol
LogP6.15
Rot. Bonds3

About 1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene

1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene (PubChem CID 174123096) has the molecular formula C17H12F8 and a molecular weight of 368.27 g/mol. Its IUPAC name is 1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene
PubChem CID174123096
Molecular FormulaC17H12F8
Molecular Weight368.27 g/mol
Exact Mass368.08
IUPAC Name1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene
SMILESCCc1c(F)c(F)c(-c2c(F)c(F)c(C(C)C)c(F)c2F)c(F)c1F
InChIInChI=1S/C17H12F8/c1-4-6-10(18)14(22)8(15(23)11(6)19)9-16(24)12(20)7(5(2)3)13(21)17(9)25/h5H,4H2,1-3H3
InChIKeyBPTUCMFGLIHXAG-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.27
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene
CID 122480972
1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
CID 162052100
1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene
CID 150741990
1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene
CID 177120385
1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene
CID 129035319
4-ethyl-2,3,5,6-tetrafluorophenol
CID 88572111
1,2,4,5-tetrafluoro-3-propan-2-yl-6-[3-(2,3,5,6-tetrafluoro-4-methylphenyl)-5-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]benzene
CID 146564682
1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-5-methyl-4-propan-2-ylphenyl)benzene
CID 155216101
1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene
CID 135273031
1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
CID 21113589
1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene
CID 91325088
1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene
CID 155371318

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene (CID 174123096) is 1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene is CCc1c(F)c(F)c(-c2c(F)c(F)c(C(C)C)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene?
The InChIKey is BPTUCMFGLIHXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F8/c1-4-6-10(18)14(22)8(15(23)11(6)19)9-16(24)12(20)7(5(2)3)13(21)17(9)25/h5H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene?
1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene has a molecular weight of 368.27 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 174123096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).