ethane;2-fluoro-1,4-dimethylbenzene;propane

C15H29F — CID 144971037

IUPACethane;2-fluoro-1,4-dimethylbenzene;propane
SMILESCC.CC.CCC.Cc1ccc(C)c(F)c1
InChIInChI=1S/C8H9F.C3H8.2C2H6/c1-6-3-4-7(2)8(9)5-6;1-3-2;2*1-2/h3-5H,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyXOYXTWMADYURCO-UHFFFAOYSA-N
MW228.39 g/mol
LogP5.91
Rot. Bonds

About ethane;2-fluoro-1,4-dimethylbenzene;propane

ethane;2-fluoro-1,4-dimethylbenzene;propane (PubChem CID 144971037) has the molecular formula C15H29F and a molecular weight of 228.39 g/mol. Its IUPAC name is ethane;2-fluoro-1,4-dimethylbenzene;propane.

Molecular Properties

Compound Nameethane;2-fluoro-1,4-dimethylbenzene;propane
PubChem CID144971037
Molecular FormulaC15H29F
Molecular Weight228.39 g/mol
Exact Mass228.23
IUPAC Nameethane;2-fluoro-1,4-dimethylbenzene;propane
SMILESCC.CC.CCC.Cc1ccc(C)c(F)c1
InChIInChI=1S/C8H9F.C3H8.2C2H6/c1-6-3-4-7(2)8(9)5-6;1-3-2;2*1-2/h3-5H,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyXOYXTWMADYURCO-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.39
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
2-fluoro-1,4-dimethylbenzene;bis(nonane)
CID 143987706
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761
ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol
CID 145318169
(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 158726026
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
1-chloro-2-fluoro-4-methylbenzene;propane
CID 154658085

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-1,4-dimethylbenzene;propane?
The IUPAC name of ethane;2-fluoro-1,4-dimethylbenzene;propane (CID 144971037) is ethane;2-fluoro-1,4-dimethylbenzene;propane.
What is the SMILES notation for ethane;2-fluoro-1,4-dimethylbenzene;propane?
The canonical SMILES for ethane;2-fluoro-1,4-dimethylbenzene;propane is CC.CC.CCC.Cc1ccc(C)c(F)c1.
What is the InChIKey of ethane;2-fluoro-1,4-dimethylbenzene;propane?
The InChIKey is XOYXTWMADYURCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C3H8.2C2H6/c1-6-3-4-7(2)8(9)5-6;1-3-2;2*1-2/h3-5H,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-fluoro-1,4-dimethylbenzene;propane?
ethane;2-fluoro-1,4-dimethylbenzene;propane has a molecular weight of 228.39 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-1,4-dimethylbenzene;propane is sourced from PubChem (CID 144971037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).