ethane;2-ethyl-1,5-difluoro-3-methylbenzene

C11H16F2 — CID 142885639

IUPACethane;2-ethyl-1,5-difluoro-3-methylbenzene
SMILESCC.CCc1c(C)cc(F)cc1F
InChIInChI=1S/C9H10F2.C2H6/c1-3-8-6(2)4-7(10)5-9(8)11;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyQVGGIDHNRKLDQR-UHFFFAOYSA-N
MW186.24 g/mol
LogP3.86
Rot. Bonds1

About ethane;2-ethyl-1,5-difluoro-3-methylbenzene

ethane;2-ethyl-1,5-difluoro-3-methylbenzene (PubChem CID 142885639) has the molecular formula C11H16F2 and a molecular weight of 186.24 g/mol. Its IUPAC name is ethane;2-ethyl-1,5-difluoro-3-methylbenzene.

Molecular Properties

Compound Nameethane;2-ethyl-1,5-difluoro-3-methylbenzene
PubChem CID142885639
Molecular FormulaC11H16F2
Molecular Weight186.24 g/mol
Exact Mass186.12
IUPAC Nameethane;2-ethyl-1,5-difluoro-3-methylbenzene
SMILESCC.CCc1c(C)cc(F)cc1F
InChIInChI=1S/C9H10F2.C2H6/c1-3-8-6(2)4-7(10)5-9(8)11;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyQVGGIDHNRKLDQR-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558
2-ethyl-3,5-difluorophenol
CID 131273539
2-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 55253918
(4-fluoro-2,6-dimethylphenyl)methanethiol
CID 178171119
1,3,5-trifluoro-2-heptylbenzene
CID 59545279
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162450812
ethane;1-fluoro-3,5-dimethylbenzene;propane
CID 143107717
ethane;2,3,4-triethyl-5-fluorophenol
CID 143347734
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene
CID 176962607
2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine
CID 142169688

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1,5-difluoro-3-methylbenzene?
The IUPAC name of ethane;2-ethyl-1,5-difluoro-3-methylbenzene (CID 142885639) is ethane;2-ethyl-1,5-difluoro-3-methylbenzene.
What is the SMILES notation for ethane;2-ethyl-1,5-difluoro-3-methylbenzene?
The canonical SMILES for ethane;2-ethyl-1,5-difluoro-3-methylbenzene is CC.CCc1c(C)cc(F)cc1F.
What is the InChIKey of ethane;2-ethyl-1,5-difluoro-3-methylbenzene?
The InChIKey is QVGGIDHNRKLDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C2H6/c1-3-8-6(2)4-7(10)5-9(8)11;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-1,5-difluoro-3-methylbenzene?
ethane;2-ethyl-1,5-difluoro-3-methylbenzene has a molecular weight of 186.24 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1,5-difluoro-3-methylbenzene is sourced from PubChem (CID 142885639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).