4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene

C12H14F2 — CID 154647165

IUPAC4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene
SMILESCc1ccc(C2CCC2)cc1C(F)F
InChIInChI=1S/C12H14F2/c1-8-5-6-10(9-3-2-4-9)7-11(8)12(13)14/h5-7,9,12H,2-4H2,1H3
InChIKeyIBAMFKJCUNKLLZ-UHFFFAOYSA-N
MW196.24 g/mol
LogP4.20
Rot. Bonds2

About 4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene

4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene (PubChem CID 154647165) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene.

Molecular Properties

Compound Name4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene
PubChem CID154647165
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene
SMILESCc1ccc(C2CCC2)cc1C(F)F
InChIInChI=1S/C12H14F2/c1-8-5-6-10(9-3-2-4-9)7-11(8)12(13)14/h5-7,9,12H,2-4H2,1H3
InChIKeyIBAMFKJCUNKLLZ-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 54.20
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
1,2,3,4-Tetramethylbenzene
CID 10263
1,2,3,5-Tetramethylbenzene
CID 10695
1,2-Dimethyl-4-ethylbenzene
CID 13629
Durene
CID 7269
Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CID 22570
Triethylbenzene
CID 39149
3,4-Dihydrocadalene
CID 528708

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene?
The IUPAC name of 4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene (CID 154647165) is 4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene.
What is the SMILES notation for 4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene?
The canonical SMILES for 4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene is Cc1ccc(C2CCC2)cc1C(F)F.
What is the InChIKey of 4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene?
The InChIKey is IBAMFKJCUNKLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2/c1-8-5-6-10(9-3-2-4-9)7-11(8)12(13)14/h5-7,9,12H,2-4H2,1H3.
What are the key properties of 4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene?
4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene has a molecular weight of 196.24 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-(difluoromethyl)-1-methylbenzene is sourced from PubChem (CID 154647165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).