1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene

C11H12F4 — CID 122480972

IUPAC1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene
SMILESCCc1c(F)c(F)c(C(C)C)c(F)c1F
InChIInChI=1S/C11H12F4/c1-4-6-8(12)10(14)7(5(2)3)11(15)9(6)13/h5H,4H2,1-3H3
InChIKeyAICDCJPVDHKPOZ-UHFFFAOYSA-N
MW220.21 g/mol
LogP3.93
Rot. Bonds2

About 1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene

1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene (PubChem CID 122480972) has the molecular formula C11H12F4 and a molecular weight of 220.21 g/mol. Its IUPAC name is 1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene
PubChem CID122480972
Molecular FormulaC11H12F4
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene
SMILESCCc1c(F)c(F)c(C(C)C)c(F)c1F
InChIInChI=1S/C11H12F4/c1-4-6-8(12)10(14)7(5(2)3)11(15)9(6)13/h5H,4H2,1-3H3
InChIKeyAICDCJPVDHKPOZ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 53.93
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-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene
CID 174123096
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
4-ethyl-2,3,5,6-tetrafluorophenol
CID 88572111
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
(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phosphonous acid
CID 176944093
1-butan-2-yl-2,3,4,5,6-pentafluorobenzene
CID 13127659
1,3-dichloro-2,4,6-trifluoro-5-propan-2-ylbenzene
CID 170123757
1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene
CID 168959463

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene?
The IUPAC name of 1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene (CID 122480972) is 1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene.
What is the SMILES notation for 1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene?
The canonical SMILES for 1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene is CCc1c(F)c(F)c(C(C)C)c(F)c1F.
What is the InChIKey of 1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene?
The InChIKey is AICDCJPVDHKPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4/c1-4-6-8(12)10(14)7(5(2)3)11(15)9(6)13/h5H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene?
1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene has a molecular weight of 220.21 g/mol, XLogP of 3.93, 2 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-propan-2-ylbenzene is sourced from PubChem (CID 122480972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).