2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene

C11H10BrF5 — CID 130429779

IUPAC2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene
SMILESCCc1cc(C(F)(F)C(F)(F)F)cc(C)c1Br
InChIInChI=1S/C11H10BrF5/c1-3-7-5-8(4-6(2)9(7)12)10(13,14)11(15,16)17/h4-5H,3H2,1-2H3
InChIKeyMFIHMYAMMRSDJH-UHFFFAOYSA-N
MW317.10 g/mol
LogP4.97
Rot. Bonds2

About 2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene

2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene (PubChem CID 130429779) has the molecular formula C11H10BrF5 and a molecular weight of 317.10 g/mol. Its IUPAC name is 2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene
PubChem CID130429779
Molecular FormulaC11H10BrF5
Molecular Weight317.10 g/mol
Exact Mass315.99
IUPAC Name2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene
SMILESCCc1cc(C(F)(F)C(F)(F)F)cc(C)c1Br
InChIInChI=1S/C11H10BrF5/c1-3-7-5-8(4-6(2)9(7)12)10(13,14)11(15,16)17/h4-5H,3H2,1-2H3
InChIKeyMFIHMYAMMRSDJH-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene?
The IUPAC name of 2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene (CID 130429779) is 2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene.
What is the SMILES notation for 2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene?
The canonical SMILES for 2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene is CCc1cc(C(F)(F)C(F)(F)F)cc(C)c1Br.
What is the InChIKey of 2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene?
The InChIKey is MFIHMYAMMRSDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF5/c1-3-7-5-8(4-6(2)9(7)12)10(13,14)11(15,16)17/h4-5H,3H2,1-2H3.
What are the key properties of 2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene?
2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene has a molecular weight of 317.10 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)benzene is sourced from PubChem (CID 130429779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).