ethane;1-fluoro-3,5-dimethylbenzene;propane

C13H23F — CID 143107717

IUPACethane;1-fluoro-3,5-dimethylbenzene;propane
SMILESCC.CCC.Cc1cc(C)cc(F)c1
InChIInChI=1S/C8H9F.C3H8.C2H6/c1-6-3-7(2)5-8(9)4-6;1-3-2;1-2/h3-5H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyVJGXKYZRYYNVSU-UHFFFAOYSA-N
MW198.32 g/mol
LogP4.89
Rot. Bonds

About ethane;1-fluoro-3,5-dimethylbenzene;propane

ethane;1-fluoro-3,5-dimethylbenzene;propane (PubChem CID 143107717) has the molecular formula C13H23F and a molecular weight of 198.32 g/mol. Its IUPAC name is ethane;1-fluoro-3,5-dimethylbenzene;propane.

Molecular Properties

Compound Nameethane;1-fluoro-3,5-dimethylbenzene;propane
PubChem CID143107717
Molecular FormulaC13H23F
Molecular Weight198.32 g/mol
Exact Mass198.18
IUPAC Nameethane;1-fluoro-3,5-dimethylbenzene;propane
SMILESCC.CCC.Cc1cc(C)cc(F)c1
InChIInChI=1S/C8H9F.C3H8.C2H6/c1-6-3-7(2)5-8(9)4-6;1-3-2;1-2/h3-5H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyVJGXKYZRYYNVSU-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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bis(3,5-dimethylphenyl)-ethylborane
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CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
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1-(3-fluoro-5-methylphenyl)propan-1-amine
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1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
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ethane;2-fluoro-1,4-dimethylbenzene;propane
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1-(3-bromoprop-1-ynyl)-3-fluoro-5-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-3,5-dimethylbenzene;propane?
The IUPAC name of ethane;1-fluoro-3,5-dimethylbenzene;propane (CID 143107717) is ethane;1-fluoro-3,5-dimethylbenzene;propane.
What is the SMILES notation for ethane;1-fluoro-3,5-dimethylbenzene;propane?
The canonical SMILES for ethane;1-fluoro-3,5-dimethylbenzene;propane is CC.CCC.Cc1cc(C)cc(F)c1.
What is the InChIKey of ethane;1-fluoro-3,5-dimethylbenzene;propane?
The InChIKey is VJGXKYZRYYNVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C3H8.C2H6/c1-6-3-7(2)5-8(9)4-6;1-3-2;1-2/h3-5H,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-fluoro-3,5-dimethylbenzene;propane?
ethane;1-fluoro-3,5-dimethylbenzene;propane has a molecular weight of 198.32 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-3,5-dimethylbenzene;propane is sourced from PubChem (CID 143107717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).