1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene

C9H10F2 — CID 131118392

IUPAC1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene
SMILESCc1cc(F)c(C)c(CF)c1
InChIInChI=1S/C9H10F2/c1-6-3-8(5-10)7(2)9(11)4-6/h3-4H,5H2,1-2H3
InChIKeyYGQAFQYDHODAAF-UHFFFAOYSA-N
MW156.17 g/mol
LogP2.91
Rot. Bonds1

About 1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene

1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene (PubChem CID 131118392) has the molecular formula C9H10F2 and a molecular weight of 156.17 g/mol. Its IUPAC name is 1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene
PubChem CID131118392
Molecular FormulaC9H10F2
Molecular Weight156.17 g/mol
Exact Mass156.08
IUPAC Name1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene
SMILESCc1cc(F)c(C)c(CF)c1
InChIInChI=1S/C9H10F2/c1-6-3-8(5-10)7(2)9(11)4-6/h3-4H,5H2,1-2H3
InChIKeyYGQAFQYDHODAAF-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene
CID 131074450
CID 144806033
CID 144806033
1,3-difluoro-2,5-dimethylbenzene;hexane
CID 144528127
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709
1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
CID 130909757
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene
CID 118836013
3-fluoro-2,5-dimethylaniline
CID 55289526
2-fluoro-6-(hydroxymethyl)-4-methylphenol
CID 84650325
ethane;3-fluoro-2,5-dimethylphenol
CID 142108626
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
1-ethoxy-3-fluoro-2,5-dimethylbenzene
CID 59933400

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene?
The IUPAC name of 1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene (CID 131118392) is 1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene.
What is the SMILES notation for 1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene?
The canonical SMILES for 1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene is Cc1cc(F)c(C)c(CF)c1.
What is the InChIKey of 1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene?
The InChIKey is YGQAFQYDHODAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2/c1-6-3-8(5-10)7(2)9(11)4-6/h3-4H,5H2,1-2H3.
What are the key properties of 1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene?
1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene has a molecular weight of 156.17 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene is sourced from PubChem (CID 131118392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).