ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene

C16H31F — CID 170736558

IUPACethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
SMILESCC.CC.CC.CCc1c(C)cc(C)cc1F
InChIInChI=1S/C10H13F.3C2H6/c1-4-9-8(3)5-7(2)6-10(9)11;3*1-2/h5-6H,4H2,1-3H3;3*1-2H3
InChIKeyJSTKGLSMTBTFLG-UHFFFAOYSA-N
MW242.42 g/mol
LogP6.08
Rot. Bonds1

About ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene

ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene (PubChem CID 170736558) has the molecular formula C16H31F and a molecular weight of 242.42 g/mol. Its IUPAC name is ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene.

Molecular Properties

Compound Nameethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
PubChem CID170736558
Molecular FormulaC16H31F
Molecular Weight242.42 g/mol
Exact Mass242.24
IUPAC Nameethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
SMILESCC.CC.CC.CCc1c(C)cc(C)cc1F
InChIInChI=1S/C10H13F.3C2H6/c1-4-9-8(3)5-7(2)6-10(9)11;3*1-2/h5-6H,4H2,1-3H3;3*1-2H3
InChIKeyJSTKGLSMTBTFLG-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.42
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-ethyl-1,5-difluoro-3-methylbenzene
CID 142885639
1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene
CID 170736464
(2-fluoro-4,6-dimethylphenyl)methylhydrazine
CID 106884295
2-(3-chloropentyl)-1-fluoro-3,5-dimethylbenzene
CID 106882568
1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine
CID 170264537
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303
1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine
CID 106882504
2-bromo-1-fluoro-3,5-dimethylbenzene;ethane
CID 142302945
1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene
CID 131118036
N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine
CID 106882518
ethane;(2,4,6-trimethylphenyl)methanol
CID 143599991
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene?
The IUPAC name of ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene (CID 170736558) is ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene.
What is the SMILES notation for ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene?
The canonical SMILES for ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene is CC.CC.CC.CCc1c(C)cc(C)cc1F.
What is the InChIKey of ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene?
The InChIKey is JSTKGLSMTBTFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.3C2H6/c1-4-9-8(3)5-7(2)6-10(9)11;3*1-2/h5-6H,4H2,1-3H3;3*1-2H3.
What are the key properties of ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene?
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene has a molecular weight of 242.42 g/mol, XLogP of 6.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene is sourced from PubChem (CID 170736558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).