ethane;1-ethoxy-3-fluoro-2-methylbenzene

C11H17FO — CID 143520005

IUPACethane;1-ethoxy-3-fluoro-2-methylbenzene
SMILESCC.CCOc1cccc(F)c1C
InChIInChI=1S/C9H11FO.C2H6/c1-3-11-9-6-4-5-8(10)7(9)2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyDFGBWMYRENJWOT-UHFFFAOYSA-N
MW184.25 g/mol
LogP3.56
Rot. Bonds2

About ethane;1-ethoxy-3-fluoro-2-methylbenzene

ethane;1-ethoxy-3-fluoro-2-methylbenzene (PubChem CID 143520005) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is ethane;1-ethoxy-3-fluoro-2-methylbenzene.

Molecular Properties

Compound Nameethane;1-ethoxy-3-fluoro-2-methylbenzene
PubChem CID143520005
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Nameethane;1-ethoxy-3-fluoro-2-methylbenzene
SMILESCC.CCOc1cccc(F)c1C
InChIInChI=1S/C9H11FO.C2H6/c1-3-11-9-6-4-5-8(10)7(9)2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyDFGBWMYRENJWOT-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
ethane;1-ethoxy-3,5-difluoro-2-methylbenzene
CID 169134909
1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene
CID 142488537
1-ethoxy-3-fluoro-2,5-dimethylbenzene
CID 59933400
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
CID 2283298
ethane;3-ethoxy-2-fluoropyridine
CID 144753234
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
(2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine
CID 62302991
2-(2-ethoxy-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156594171

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxy-3-fluoro-2-methylbenzene?
The IUPAC name of ethane;1-ethoxy-3-fluoro-2-methylbenzene (CID 143520005) is ethane;1-ethoxy-3-fluoro-2-methylbenzene.
What is the SMILES notation for ethane;1-ethoxy-3-fluoro-2-methylbenzene?
The canonical SMILES for ethane;1-ethoxy-3-fluoro-2-methylbenzene is CC.CCOc1cccc(F)c1C.
What is the InChIKey of ethane;1-ethoxy-3-fluoro-2-methylbenzene?
The InChIKey is DFGBWMYRENJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO.C2H6/c1-3-11-9-6-4-5-8(10)7(9)2;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethoxy-3-fluoro-2-methylbenzene?
ethane;1-ethoxy-3-fluoro-2-methylbenzene has a molecular weight of 184.25 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-3-fluoro-2-methylbenzene is sourced from PubChem (CID 143520005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).