ethane;1-fluoro-2,4-dimethylbenzene

C12H21F — CID 123541236

IUPACethane;1-fluoro-2,4-dimethylbenzene
SMILESCC.CC.Cc1ccc(F)c(C)c1
InChIInChI=1S/C8H9F.2C2H6/c1-6-3-4-8(9)7(2)5-6;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyQPLGOQOFMZMFOF-UHFFFAOYSA-N
MW184.30 g/mol
LogP4.49
Rot. Bonds

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

ethane;1-fluoro-2,4-dimethylbenzene (PubChem CID 123541236) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is ethane;1-fluoro-2,4-dimethylbenzene.

Molecular Properties

Compound Nameethane;1-fluoro-2,4-dimethylbenzene
PubChem CID123541236
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Nameethane;1-fluoro-2,4-dimethylbenzene
SMILESCC.CC.Cc1ccc(F)c(C)c1
InChIInChI=1S/C8H9F.2C2H6/c1-6-3-4-8(9)7(2)5-6;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyQPLGOQOFMZMFOF-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-fluoro-2,4-dimethylbenzene;formamide
CID 143812517
1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 143291737
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247
ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane
CID 142361482
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
ethane;4-fluoro-3-methylaniline
CID 142250330
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-2,4-dimethylbenzene?
The IUPAC name of ethane;1-fluoro-2,4-dimethylbenzene (CID 123541236) is ethane;1-fluoro-2,4-dimethylbenzene.
What is the SMILES notation for ethane;1-fluoro-2,4-dimethylbenzene?
The canonical SMILES for ethane;1-fluoro-2,4-dimethylbenzene is CC.CC.Cc1ccc(F)c(C)c1.
What is the InChIKey of ethane;1-fluoro-2,4-dimethylbenzene?
The InChIKey is QPLGOQOFMZMFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.2C2H6/c1-6-3-4-8(9)7(2)5-6;2*1-2/h3-5H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-fluoro-2,4-dimethylbenzene?
ethane;1-fluoro-2,4-dimethylbenzene has a molecular weight of 184.30 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-2,4-dimethylbenzene is sourced from PubChem (CID 123541236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).