1-methyl-2,4-bis(trifluoromethyl)benzene

C9H6F6 — CID 2756750

IUPAC1-methyl-2,4-bis(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H6F6/c1-5-2-3-6(8(10,11)12)4-7(5)9(13,14)15/h2-4H,1H3
InChIKeyZBIUGZLUAUOIRQ-UHFFFAOYSA-N
MW228.14 g/mol
LogP4.03
Rot. Bonds

About 1-methyl-2,4-bis(trifluoromethyl)benzene

1-methyl-2,4-bis(trifluoromethyl)benzene (PubChem CID 2756750) has the molecular formula C9H6F6 and a molecular weight of 228.14 g/mol. Its IUPAC name is 1-methyl-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-2,4-bis(trifluoromethyl)benzene
PubChem CID2756750
Molecular FormulaC9H6F6
Molecular Weight228.14 g/mol
Exact Mass228.04
IUPAC Name1-methyl-2,4-bis(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H6F6/c1-5-2-3-6(8(10,11)12)4-7(5)9(13,14)15/h2-4H,1H3
InChIKeyZBIUGZLUAUOIRQ-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-2,4-bis(trifluoromethyl)benzene (CID 2756750) is 1-methyl-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-2,4-bis(trifluoromethyl)benzene is Cc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-2,4-bis(trifluoromethyl)benzene?
The InChIKey is ZBIUGZLUAUOIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6/c1-5-2-3-6(8(10,11)12)4-7(5)9(13,14)15/h2-4H,1H3.
What are the key properties of 1-methyl-2,4-bis(trifluoromethyl)benzene?
1-methyl-2,4-bis(trifluoromethyl)benzene has a molecular weight of 228.14 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 2756750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).