ethane;1-(2-fluoroethoxy)-4-methylbenzene

C11H17FO — CID 142309231

IUPACethane;1-(2-fluoroethoxy)-4-methylbenzene
SMILESCC.Cc1ccc(OCCF)cc1
InChIInChI=1S/C9H11FO.C2H6/c1-8-2-4-9(5-3-8)11-7-6-10;1-2/h2-5H,6-7H2,1H3;1-2H3
InChIKeyFMDCQDZUZZYIOU-UHFFFAOYSA-N
MW184.25 g/mol
LogP3.37
Rot. Bonds3

About ethane;1-(2-fluoroethoxy)-4-methylbenzene

ethane;1-(2-fluoroethoxy)-4-methylbenzene (PubChem CID 142309231) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is ethane;1-(2-fluoroethoxy)-4-methylbenzene.

Molecular Properties

Compound Nameethane;1-(2-fluoroethoxy)-4-methylbenzene
PubChem CID142309231
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Nameethane;1-(2-fluoroethoxy)-4-methylbenzene
SMILESCC.Cc1ccc(OCCF)cc1
InChIInChI=1S/C9H11FO.C2H6/c1-8-2-4-9(5-3-8)11-7-6-10;1-2/h2-5H,6-7H2,1H3;1-2H3
InChIKeyFMDCQDZUZZYIOU-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191
1-(9-bromononoxy)-4-methylbenzene
CID 105343245
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
1-methyl-4-propoxybenzene;yttrium
CID 59325724
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-fluoroethoxy)-4-methylbenzene?
The IUPAC name of ethane;1-(2-fluoroethoxy)-4-methylbenzene (CID 142309231) is ethane;1-(2-fluoroethoxy)-4-methylbenzene.
What is the SMILES notation for ethane;1-(2-fluoroethoxy)-4-methylbenzene?
The canonical SMILES for ethane;1-(2-fluoroethoxy)-4-methylbenzene is CC.Cc1ccc(OCCF)cc1.
What is the InChIKey of ethane;1-(2-fluoroethoxy)-4-methylbenzene?
The InChIKey is FMDCQDZUZZYIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO.C2H6/c1-8-2-4-9(5-3-8)11-7-6-10;1-2/h2-5H,6-7H2,1H3;1-2H3.
What are the key properties of ethane;1-(2-fluoroethoxy)-4-methylbenzene?
ethane;1-(2-fluoroethoxy)-4-methylbenzene has a molecular weight of 184.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-fluoroethoxy)-4-methylbenzene is sourced from PubChem (CID 142309231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).