2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane

C18H30F2O — CID 143930115

IUPAC2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane
SMILESCC.CC(C)(C)CO.Cc1cc(F)c(C2CCC2)c(F)c1
InChIInChI=1S/C11H12F2.C5H12O.C2H6/c1-7-5-9(12)11(10(13)6-7)8-3-2-4-8;1-5(2,3)4-6;1-2/h5-6,8H,2-4H2,1H3;6H,4H2,1-3H3;1-2H3
InChIKeyXDVDXCRUBIAFRJ-UHFFFAOYSA-N
MW300.43 g/mol
LogP5.59
Rot. Bonds1

About 2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane

2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane (PubChem CID 143930115) has the molecular formula C18H30F2O and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane.

Molecular Properties

Compound Name2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane
PubChem CID143930115
Molecular FormulaC18H30F2O
Molecular Weight300.43 g/mol
Exact Mass300.23
IUPAC Name2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane
SMILESCC.CC(C)(C)CO.Cc1cc(F)c(C2CCC2)c(F)c1
InChIInChI=1S/C11H12F2.C5H12O.C2H6/c1-7-5-9(12)11(10(13)6-7)8-3-2-4-8;1-5(2,3)4-6;1-2/h5-6,8H,2-4H2,1H3;6H,4H2,1-3H3;1-2H3
InChIKeyXDVDXCRUBIAFRJ-UHFFFAOYSA-N
XLogP5.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane?
The IUPAC name of 2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane (CID 143930115) is 2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane.
What is the SMILES notation for 2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane?
The canonical SMILES for 2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane is CC.CC(C)(C)CO.Cc1cc(F)c(C2CCC2)c(F)c1.
What is the InChIKey of 2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane?
The InChIKey is XDVDXCRUBIAFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2.C5H12O.C2H6/c1-7-5-9(12)11(10(13)6-7)8-3-2-4-8;1-5(2,3)4-6;1-2/h5-6,8H,2-4H2,1H3;6H,4H2,1-3H3;1-2H3.
What are the key properties of 2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane?
2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane has a molecular weight of 300.43 g/mol, XLogP of 5.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane is sourced from PubChem (CID 143930115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).