1-fluoro-3,5-dimethylbenzene

C8H9F — CID 521192

IUPAC1-fluoro-3,5-dimethylbenzene
SMILESCc1cc(C)cc(F)c1
InChIInChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChIKeyRCWIWNUVHNAUQC-UHFFFAOYSA-N
MW124.16 g/mol
LogP2.44
Rot. Bonds

About 1-fluoro-3,5-dimethylbenzene

1-fluoro-3,5-dimethylbenzene (PubChem CID 521192) has the molecular formula C8H9F and a molecular weight of 124.16 g/mol. Its IUPAC name is 1-fluoro-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-fluoro-3,5-dimethylbenzene
PubChem CID521192
Molecular FormulaC8H9F
Molecular Weight124.16 g/mol
Exact Mass124.07
IUPAC Name1-fluoro-3,5-dimethylbenzene
SMILESCc1cc(C)cc(F)c1
InChIInChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChIKeyRCWIWNUVHNAUQC-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Mesitylene
CID 7947

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,5-dimethylbenzene?
The IUPAC name of 1-fluoro-3,5-dimethylbenzene (CID 521192) is 1-fluoro-3,5-dimethylbenzene.
What is the SMILES notation for 1-fluoro-3,5-dimethylbenzene?
The canonical SMILES for 1-fluoro-3,5-dimethylbenzene is Cc1cc(C)cc(F)c1.
What is the InChIKey of 1-fluoro-3,5-dimethylbenzene?
The InChIKey is RCWIWNUVHNAUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3.
What are the key properties of 1-fluoro-3,5-dimethylbenzene?
1-fluoro-3,5-dimethylbenzene has a molecular weight of 124.16 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,5-dimethylbenzene is sourced from PubChem (CID 521192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).