1-(2,2-difluorocyclopropyl)-4-methylbenzene

C10H10F2 — CID 25210513

IUPAC1-(2,2-difluorocyclopropyl)-4-methylbenzene
SMILESCc1ccc(C2CC2(F)F)cc1
InChIInChI=1S/C10H10F2/c1-7-2-4-8(5-3-7)9-6-10(9,11)12/h2-5,9H,6H2,1H3
InChIKeyVCYGRUJYOJHIQL-UHFFFAOYSA-N
MW168.19 g/mol
LogP3.12
Rot. Bonds1

About 1-(2,2-difluorocyclopropyl)-4-methylbenzene

1-(2,2-difluorocyclopropyl)-4-methylbenzene (PubChem CID 25210513) has the molecular formula C10H10F2 and a molecular weight of 168.19 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)-4-methylbenzene
PubChem CID25210513
Molecular FormulaC10H10F2
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name1-(2,2-difluorocyclopropyl)-4-methylbenzene
SMILESCc1ccc(C2CC2(F)F)cc1
InChIInChI=1S/C10H10F2/c1-7-2-4-8(5-3-7)9-6-10(9,11)12/h2-5,9H,6H2,1H3
InChIKeyVCYGRUJYOJHIQL-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,2-difluorocyclopropyl)-4-methylbenzene 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 1-(2,2-difluorocyclopropyl)-4-methylbenzene?
The IUPAC name of 1-(2,2-difluorocyclopropyl)-4-methylbenzene (CID 25210513) is 1-(2,2-difluorocyclopropyl)-4-methylbenzene.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)-4-methylbenzene?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)-4-methylbenzene is Cc1ccc(C2CC2(F)F)cc1.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)-4-methylbenzene?
The InChIKey is VCYGRUJYOJHIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2/c1-7-2-4-8(5-3-7)9-6-10(9,11)12/h2-5,9H,6H2,1H3.
What are the key properties of 1-(2,2-difluorocyclopropyl)-4-methylbenzene?
1-(2,2-difluorocyclopropyl)-4-methylbenzene has a molecular weight of 168.19 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)-4-methylbenzene is sourced from PubChem (CID 25210513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).