ethane;1-ethyl-2-(2-fluoroethoxy)benzene

C12H19FO — CID 170716854

IUPACethane;1-ethyl-2-(2-fluoroethoxy)benzene
SMILESCC.CCc1ccccc1OCCF
InChIInChI=1S/C10H13FO.C2H6/c1-2-9-5-3-4-6-10(9)12-8-7-11;1-2/h3-6H,2,7-8H2,1H3;1-2H3
InChIKeyLIMQBUJFXUQKOD-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.62
Rot. Bonds4

About ethane;1-ethyl-2-(2-fluoroethoxy)benzene

ethane;1-ethyl-2-(2-fluoroethoxy)benzene (PubChem CID 170716854) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is ethane;1-ethyl-2-(2-fluoroethoxy)benzene.

Molecular Properties

Compound Nameethane;1-ethyl-2-(2-fluoroethoxy)benzene
PubChem CID170716854
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Nameethane;1-ethyl-2-(2-fluoroethoxy)benzene
SMILESCC.CCc1ccccc1OCCF
InChIInChI=1S/C10H13FO.C2H6/c1-2-9-5-3-4-6-10(9)12-8-7-11;1-2/h3-6H,2,7-8H2,1H3;1-2H3
InChIKeyLIMQBUJFXUQKOD-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
1,2-bis(2-fluoroethoxy)benzene
CID 15058677
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
4-(2-ethylphenoxy)butanamide
CID 82040636
1-ethyl-2-heptoxybenzene
CID 22723794
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
ethane;1-ethyl-2-[(Z)-hept-4-enoxy]benzene;hydrate
CID 143031035
2-(2-ethylphenoxy)ethyl methanesulfonate
CID 19809138
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-(2-fluoroethoxy)benzene?
The IUPAC name of ethane;1-ethyl-2-(2-fluoroethoxy)benzene (CID 170716854) is ethane;1-ethyl-2-(2-fluoroethoxy)benzene.
What is the SMILES notation for ethane;1-ethyl-2-(2-fluoroethoxy)benzene?
The canonical SMILES for ethane;1-ethyl-2-(2-fluoroethoxy)benzene is CC.CCc1ccccc1OCCF.
What is the InChIKey of ethane;1-ethyl-2-(2-fluoroethoxy)benzene?
The InChIKey is LIMQBUJFXUQKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO.C2H6/c1-2-9-5-3-4-6-10(9)12-8-7-11;1-2/h3-6H,2,7-8H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-2-(2-fluoroethoxy)benzene?
ethane;1-ethyl-2-(2-fluoroethoxy)benzene has a molecular weight of 198.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-(2-fluoroethoxy)benzene is sourced from PubChem (CID 170716854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).