1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene

C10H5F9 — CID 169121749

IUPAC1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene
SMILESCCc1c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C10H5F9/c1-2-3-6(11)4(9(14,15)16)8(13)5(7(3)12)10(17,18)19/h2H2,1H3
InChIKeyWWZVTEDIULDGEY-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.70
Rot. Bonds1

About 1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene

1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene (PubChem CID 169121749) has the molecular formula C10H5F9 and a molecular weight of 296.13 g/mol. Its IUPAC name is 1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene
PubChem CID169121749
Molecular FormulaC10H5F9
Molecular Weight296.13 g/mol
Exact Mass296.02
IUPAC Name1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene
SMILESCCc1c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C10H5F9/c1-2-3-6(11)4(9(14,15)16)8(13)5(7(3)12)10(17,18)19/h2H2,1H3
InChIKeyWWZVTEDIULDGEY-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene (CID 169121749) is 1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene is CCc1c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1F.
What is the InChIKey of 1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene?
The InChIKey is WWZVTEDIULDGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F9/c1-2-3-6(11)4(9(14,15)16)8(13)5(7(3)12)10(17,18)19/h2H2,1H3.
What are the key properties of 1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene?
1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene has a molecular weight of 296.13 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 169121749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).