1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene

C12H16F2 — CID 116841375

IUPAC1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene
SMILESCc1ccc(C(F)(F)C(C)C)c(C)c1
InChIInChI=1S/C12H16F2/c1-8(2)12(13,14)11-6-5-9(3)7-10(11)4/h5-8H,1-4H3
InChIKeyVQPCTBMWOXVVHE-UHFFFAOYSA-N
MW198.26 g/mol
LogP4.05
Rot. Bonds2

About 1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene

1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene (PubChem CID 116841375) has the molecular formula C12H16F2 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene
PubChem CID116841375
Molecular FormulaC12H16F2
Molecular Weight198.26 g/mol
Exact Mass198.12
IUPAC Name1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene
SMILESCc1ccc(C(F)(F)C(C)C)c(C)c1
InChIInChI=1S/C12H16F2/c1-8(2)12(13,14)11-6-5-9(3)7-10(11)4/h5-8H,1-4H3
InChIKeyVQPCTBMWOXVVHE-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
1,2,3-Trimethylbenzene
CID 10686
M-Cymene
CID 10812
O-Cymene
CID 10703
1,3-Diisopropylbenzene
CID 7450
1,2,3,4-Tetramethylbenzene
CID 10263
1,2,3,5-Tetramethylbenzene
CID 10695
Bis(1-methylethyl)benzene
CID 11345
Curcumene
CID 92139
1,1,6-Trimethyl-1,2-dihydronaphthalene
CID 121677
1,4-Diisopropylbenzene
CID 7486

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene (CID 116841375) is 1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene is Cc1ccc(C(F)(F)C(C)C)c(C)c1.
What is the InChIKey of 1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene?
The InChIKey is VQPCTBMWOXVVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2/c1-8(2)12(13,14)11-6-5-9(3)7-10(11)4/h5-8H,1-4H3.
What are the key properties of 1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene?
1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene has a molecular weight of 198.26 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene is sourced from PubChem (CID 116841375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).