2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene

C11H12F2 — CID 155472911

IUPAC2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)c(C(F)F)c1
InChIInChI=1S/C11H12F2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-6,11H,1H2,2-3H3
InChIKeyWWFNVYPQYXSNEX-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.97
Rot. Bonds2

About 2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene

2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene (PubChem CID 155472911) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene
PubChem CID155472911
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C)c(C(F)F)c1
InChIInChI=1S/C11H12F2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-6,11H,1H2,2-3H3
InChIKeyWWFNVYPQYXSNEX-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene (CID 155472911) is 2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C)c(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene?
The InChIKey is WWFNVYPQYXSNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-6,11H,1H2,2-3H3.
What are the key properties of 2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene?
2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene has a molecular weight of 182.21 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 155472911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).