1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene

C9H8F4 — CID 91883597

IUPAC1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(CF)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F4/c1-6-2-3-7(5-10)8(4-6)9(11,12)13/h2-4H,5H2,1H3
InChIKeyGKENRGYXJISQAE-UHFFFAOYSA-N
MW192.15 g/mol
LogP3.48
Rot. Bonds1

About 1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene

1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene (PubChem CID 91883597) has the molecular formula C9H8F4 and a molecular weight of 192.15 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
PubChem CID91883597
Molecular FormulaC9H8F4
Molecular Weight192.15 g/mol
Exact Mass192.06
IUPAC Name1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(CF)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F4/c1-6-2-3-7(5-10)8(4-6)9(11,12)13/h2-4H,5H2,1H3
InChIKeyGKENRGYXJISQAE-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene (CID 91883597) is 1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene is Cc1ccc(CF)c(C(F)(F)F)c1.
What is the InChIKey of 1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene?
The InChIKey is GKENRGYXJISQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4/c1-6-2-3-7(5-10)8(4-6)9(11,12)13/h2-4H,5H2,1H3.
What are the key properties of 1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene?
1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene has a molecular weight of 192.15 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 91883597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).