1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene

C14H18F2 — CID 146184894

IUPAC1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene
SMILESCC(C)(C)CC1CC1c1ccc(F)cc1F
InChIInChI=1S/C14H18F2/c1-14(2,3)8-9-6-12(9)11-5-4-10(15)7-13(11)16/h4-5,7,9,12H,6,8H2,1-3H3
InChIKeyLJJWUEUJXUWDKX-UHFFFAOYSA-N
MW224.29 g/mol
LogP4.50
Rot. Bonds2

About 1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene

1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene (PubChem CID 146184894) has the molecular formula C14H18F2 and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene
PubChem CID146184894
Molecular FormulaC14H18F2
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Name1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene
SMILESCC(C)(C)CC1CC1c1ccc(F)cc1F
InChIInChI=1S/C14H18F2/c1-14(2,3)8-9-6-12(9)11-5-4-10(15)7-13(11)16/h4-5,7,9,12H,6,8H2,1-3H3
InChIKeyLJJWUEUJXUWDKX-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene?
The IUPAC name of 1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene (CID 146184894) is 1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene is CC(C)(C)CC1CC1c1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene?
The InChIKey is LJJWUEUJXUWDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2/c1-14(2,3)8-9-6-12(9)11-5-4-10(15)7-13(11)16/h4-5,7,9,12H,6,8H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene?
1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene has a molecular weight of 224.29 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene is sourced from PubChem (CID 146184894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).