difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene

C12H19F3O — CID 143602022

IUPACdifluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene
SMILESCC.CCc1ccc(F)cc1.COC(F)F
InChIInChI=1S/C8H9F.C2H4F2O.C2H6/c1-2-7-3-5-8(9)6-4-7;1-5-2(3)4;1-2/h3-6H,2H2,1H3;2H,1H3;1-2H3
InChIKeyUNSWAZKKDYOQQT-UHFFFAOYSA-N
MW236.28 g/mol
LogP4.27
Rot. Bonds2

About difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene

difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene (PubChem CID 143602022) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene.

Molecular Properties

Compound Namedifluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene
PubChem CID143602022
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Namedifluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene
SMILESCC.CCc1ccc(F)cc1.COC(F)F
InChIInChI=1S/C8H9F.C2H4F2O.C2H6/c1-2-7-3-5-8(9)6-4-7;1-5-2(3)4;1-2/h3-6H,2H2,1H3;2H,1H3;1-2H3
InChIKeyUNSWAZKKDYOQQT-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
1,4-diethylbenzene;ethane
CID 91207141
carbon dioxide;1-ethyl-4-fluorobenzene;methanethiol
CID 142000064
bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene
CID 143106792
1,4-diethylbenzene;ethane;methane
CID 166131756
1-(dimethoxymethyl)-4-ethylbenzene
CID 20549049
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
4-ethyl-N-(4-fluorophenyl)-N-phenylaniline
CID 154721984
2-ethyl-6-fluoronaphthalene
CID 58787061
alumane;1,4-diethylbenzene
CID 174296012

Frequently Asked Questions

What is the IUPAC name of difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene?
The IUPAC name of difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene (CID 143602022) is difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene.
What is the SMILES notation for difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene?
The canonical SMILES for difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene is CC.CCc1ccc(F)cc1.COC(F)F.
What is the InChIKey of difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene?
The InChIKey is UNSWAZKKDYOQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C2H4F2O.C2H6/c1-2-7-3-5-8(9)6-4-7;1-5-2(3)4;1-2/h3-6H,2H2,1H3;2H,1H3;1-2H3.
What are the key properties of difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene?
difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene has a molecular weight of 236.28 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene is sourced from PubChem (CID 143602022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).