1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene

C12H14F4 — CID 150741990

IUPAC1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene
SMILESCC(C)c1c(F)c(F)c(F)c(F)c1C(C)C
InChIInChI=1S/C12H14F4/c1-5(2)7-8(6(3)4)10(14)12(16)11(15)9(7)13/h5-6H,1-4H3
InChIKeyJUAZCPPGUIOYLN-UHFFFAOYSA-N
MW234.24 g/mol
LogP4.49
Rot. Bonds2

About 1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene

1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene (PubChem CID 150741990) has the molecular formula C12H14F4 and a molecular weight of 234.24 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene
PubChem CID150741990
Molecular FormulaC12H14F4
Molecular Weight234.24 g/mol
Exact Mass234.10
IUPAC Name1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene
SMILESCC(C)c1c(F)c(F)c(F)c(F)c1C(C)C
InChIInChI=1S/C12H14F4/c1-5(2)7-8(6(3)4)10(14)12(16)11(15)9(7)13/h5-6H,1-4H3
InChIKeyJUAZCPPGUIOYLN-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1,2,3,4,5,6,7-heptafluoro-8-propan-2-ylnaphthalene
CID 177120385
1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
CID 21113589
3,4,5-trifluoro-2,6-di(propan-2-yl)benzoic acid
CID 87323711
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-(3-methylbutan-2-yl)benzene
CID 123931314
2-chloro-4,5,6-trifluoro-3-propan-2-ylaniline
CID 156531002
1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene
CID 122480972
1,3-dichloro-2,4,5-trifluoro-6-propan-2-ylbenzene
CID 170123735
1,2,3-trifluoro-5-methyl-4-propan-2-yl-6-(trifluoromethyl)benzene
CID 175404259
N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 112704561
(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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene?
The IUPAC name of 1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene (CID 150741990) is 1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene.
What is the SMILES notation for 1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene?
The canonical SMILES for 1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene is CC(C)c1c(F)c(F)c(F)c(F)c1C(C)C.
What is the InChIKey of 1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene?
The InChIKey is JUAZCPPGUIOYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4/c1-5(2)7-8(6(3)4)10(14)12(16)11(15)9(7)13/h5-6H,1-4H3.
What are the key properties of 1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene?
1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene has a molecular weight of 234.24 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene is sourced from PubChem (CID 150741990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).