ethane;1-ethyl-4-fluoro-2-methylbenzene

C13H23F — CID 143471886

IUPACethane;1-ethyl-4-fluoro-2-methylbenzene
SMILESCC.CC.CCc1ccc(F)cc1C
InChIInChI=1S/C9H11F.2C2H6/c1-3-8-4-5-9(10)6-7(8)2;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3
InChIKeyZIYJJOYIYUBGGS-UHFFFAOYSA-N
MW198.32 g/mol
LogP4.75
Rot. Bonds1

About ethane;1-ethyl-4-fluoro-2-methylbenzene

ethane;1-ethyl-4-fluoro-2-methylbenzene (PubChem CID 143471886) has the molecular formula C13H23F and a molecular weight of 198.32 g/mol. Its IUPAC name is ethane;1-ethyl-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Nameethane;1-ethyl-4-fluoro-2-methylbenzene
PubChem CID143471886
Molecular FormulaC13H23F
Molecular Weight198.32 g/mol
Exact Mass198.18
IUPAC Nameethane;1-ethyl-4-fluoro-2-methylbenzene
SMILESCC.CC.CCc1ccc(F)cc1C
InChIInChI=1S/C9H11F.2C2H6/c1-3-8-4-5-9(10)6-7(8)2;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3
InChIKeyZIYJJOYIYUBGGS-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
CID 142860311
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(2-bromoethyl)-4-fluoro-2-methylbenzene
CID 62802439
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
4-fluoro-2-methyl-1-pentylbenzene
CID 57094925
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
1-(2-ethylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812520
1-(3-bromo-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 64671392
2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
CID 65063539
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)butan-2-one
CID 103311604
3-(4-fluoro-2-methylphenyl)-2-methylpropanal
CID 64665995
3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine
CID 114347085

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-fluoro-2-methylbenzene?
The IUPAC name of ethane;1-ethyl-4-fluoro-2-methylbenzene (CID 143471886) is ethane;1-ethyl-4-fluoro-2-methylbenzene.
What is the SMILES notation for ethane;1-ethyl-4-fluoro-2-methylbenzene?
The canonical SMILES for ethane;1-ethyl-4-fluoro-2-methylbenzene is CC.CC.CCc1ccc(F)cc1C.
What is the InChIKey of ethane;1-ethyl-4-fluoro-2-methylbenzene?
The InChIKey is ZIYJJOYIYUBGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.2C2H6/c1-3-8-4-5-9(10)6-7(8)2;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-4-fluoro-2-methylbenzene?
ethane;1-ethyl-4-fluoro-2-methylbenzene has a molecular weight of 198.32 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-fluoro-2-methylbenzene is sourced from PubChem (CID 143471886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).