1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene

C11H10F4 — CID 23105944

IUPAC1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene
SMILESCC(C)=Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F4/c1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15/h3-6H,1-2H3
InChIKeyMKBOGYXABKKPPQ-UHFFFAOYSA-N
MW218.19 g/mol
LogP4.27
Rot. Bonds1

About 1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene

1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene (PubChem CID 23105944) has the molecular formula C11H10F4 and a molecular weight of 218.19 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene
PubChem CID23105944
Molecular FormulaC11H10F4
Molecular Weight218.19 g/mol
Exact Mass218.07
IUPAC Name1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene
SMILESCC(C)=Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F4/c1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15/h3-6H,1-2H3
InChIKeyMKBOGYXABKKPPQ-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

M-Xylene
CID 7929
Mesitylene
CID 7947
1,3-Diethylbenzene
CID 8864
M-Cymene
CID 10812
1-Ethenyl-3-methylbenzene
CID 7529
3-Ethyltoluene
CID 12100
trans-beta-METHYLSTYRENE
CID 252325
(Trifluoromethyl)benzene
CID 7368
p-Fluorotoluene
CID 9603
m-Fluorotoluene
CID 9606
2-Fluorotoluene
CID 7241
beta-Methylstyrene
CID 12500

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene (CID 23105944) is 1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene is CC(C)=Cc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene?
The InChIKey is MKBOGYXABKKPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4/c1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15/h3-6H,1-2H3.
What are the key properties of 1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene?
1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene has a molecular weight of 218.19 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 23105944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).