ethane;1,2,4,5-tetrafluoro-3-methylbenzene

C9H10F4 — CID 143259717

IUPACethane;1,2,4,5-tetrafluoro-3-methylbenzene
SMILESCC.Cc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C7H4F4.C2H6/c1-3-6(10)4(8)2-5(9)7(3)11;1-2/h2H,1H3;1-2H3
InChIKeyHFPJRPGAVXYECO-UHFFFAOYSA-N
MW194.17 g/mol
LogP3.58
Rot. Bonds

About ethane;1,2,4,5-tetrafluoro-3-methylbenzene

ethane;1,2,4,5-tetrafluoro-3-methylbenzene (PubChem CID 143259717) has the molecular formula C9H10F4 and a molecular weight of 194.17 g/mol. Its IUPAC name is ethane;1,2,4,5-tetrafluoro-3-methylbenzene.

Molecular Properties

Compound Nameethane;1,2,4,5-tetrafluoro-3-methylbenzene
PubChem CID143259717
Molecular FormulaC9H10F4
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Nameethane;1,2,4,5-tetrafluoro-3-methylbenzene
SMILESCC.Cc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C7H4F4.C2H6/c1-3-6(10)4(8)2-5(9)7(3)11;1-2/h2H,1H3;1-2H3
InChIKeyHFPJRPGAVXYECO-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,4,5-tetrafluoro-3-methylbenzene?
The IUPAC name of ethane;1,2,4,5-tetrafluoro-3-methylbenzene (CID 143259717) is ethane;1,2,4,5-tetrafluoro-3-methylbenzene.
What is the SMILES notation for ethane;1,2,4,5-tetrafluoro-3-methylbenzene?
The canonical SMILES for ethane;1,2,4,5-tetrafluoro-3-methylbenzene is CC.Cc1c(F)c(F)cc(F)c1F.
What is the InChIKey of ethane;1,2,4,5-tetrafluoro-3-methylbenzene?
The InChIKey is HFPJRPGAVXYECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4.C2H6/c1-3-6(10)4(8)2-5(9)7(3)11;1-2/h2H,1H3;1-2H3.
What are the key properties of ethane;1,2,4,5-tetrafluoro-3-methylbenzene?
ethane;1,2,4,5-tetrafluoro-3-methylbenzene has a molecular weight of 194.17 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,4,5-tetrafluoro-3-methylbenzene is sourced from PubChem (CID 143259717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).