1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene

C9H8F4O — CID 131093585

IUPAC1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
SMILESCCc1c(OC(F)F)ccc(F)c1F
InChIInChI=1S/C9H8F4O/c1-2-5-7(14-9(12)13)4-3-6(10)8(5)11/h3-4,9H,2H2,1H3
InChIKeyWHFLYFVHCQUJDW-UHFFFAOYSA-N
MW208.15 g/mol
LogP3.13
Rot. Bonds3

About 1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene

1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene (PubChem CID 131093585) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
PubChem CID131093585
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
SMILESCCc1c(OC(F)F)ccc(F)c1F
InChIInChI=1S/C9H8F4O/c1-2-5-7(14-9(12)13)4-3-6(10)8(5)11/h3-4,9H,2H2,1H3
InChIKeyWHFLYFVHCQUJDW-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[6-(difluoromethoxy)-2,3-difluorophenyl]methanamine
CID 130837574
[3-(difluoromethoxy)-2,6-difluorophenyl]methanamine
CID 130934033
1-(difluoromethoxy)-2-ethyl-3-methylbenzene
CID 118269125
1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone
CID 171031684
5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole
CID 162007623
1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene
CID 135742735
2-ethyl-3,4-difluorophenol
CID 130218632
1-bromo-3-(bromomethyl)-4-(difluoromethoxy)-2-fluorobenzene
CID 118141950
1,2-bis(difluoromethoxy)-4-ethylbenzene
CID 70298002
1-(2-ethyl-3,4-difluorophenyl)ethanamine
CID 55271184
[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol
CID 118141988
1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene
CID 118836171

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene?
The IUPAC name of 1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene (CID 131093585) is 1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene?
The canonical SMILES for 1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene is CCc1c(OC(F)F)ccc(F)c1F.
What is the InChIKey of 1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene?
The InChIKey is WHFLYFVHCQUJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-2-5-7(14-9(12)13)4-3-6(10)8(5)11/h3-4,9H,2H2,1H3.
What are the key properties of 1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene?
1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene has a molecular weight of 208.15 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene is sourced from PubChem (CID 131093585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).