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

C11H12F2 — CID 159439039

IUPAC2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C2CC2(F)F)c1
InChIInChI=1S/C11H12F2/c1-7-3-4-8(2)9(5-7)10-6-11(10,12)13/h3-5,10H,6H2,1-2H3
InChIKeyOWDHBQJVTIQONK-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.43
Rot. Bonds1

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

2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene (PubChem CID 159439039) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene
PubChem CID159439039
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C2CC2(F)F)c1
InChIInChI=1S/C11H12F2/c1-7-3-4-8(2)9(5-7)10-6-11(10,12)13/h3-5,10H,6H2,1-2H3
InChIKeyOWDHBQJVTIQONK-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene (CID 159439039) is 2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene is Cc1ccc(C)c(C2CC2(F)F)c1.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene?
The InChIKey is OWDHBQJVTIQONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c1-7-3-4-8(2)9(5-7)10-6-11(10,12)13/h3-5,10H,6H2,1-2H3.
What are the key properties of 2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene?
2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene has a molecular weight of 182.21 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene is sourced from PubChem (CID 159439039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).