1-(difluoromethoxy)-2,4-difluorobenzene

C7H4F4O — CID 18344090

IUPAC1-(difluoromethoxy)-2,4-difluorobenzene
SMILESFc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C7H4F4O/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,7H
InChIKeyWGYLZEWBJOJPFB-UHFFFAOYSA-N
MW180.10 g/mol
LogP2.57
Rot. Bonds2

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

1-(difluoromethoxy)-2,4-difluorobenzene (PubChem CID 18344090) has the molecular formula C7H4F4O and a molecular weight of 180.10 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2,4-difluorobenzene
PubChem CID18344090
Molecular FormulaC7H4F4O
Molecular Weight180.10 g/mol
Exact Mass180.02
IUPAC Name1-(difluoromethoxy)-2,4-difluorobenzene
SMILESFc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C7H4F4O/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,7H
InChIKeyWGYLZEWBJOJPFB-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
1-(difluoromethoxy)-4-ethynyl-2-fluorobenzene
CID 19690533
[2-(difluoromethoxy)-5-fluorophenyl]boronic acid
CID 43145368
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine
CID 122163966
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491
[2-(difluoromethoxy)phenyl]-(2,4-difluorophenyl)methanone
CID 43337704
1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene
CID 75406590
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2,4-difluorobenzene?
The IUPAC name of 1-(difluoromethoxy)-2,4-difluorobenzene (CID 18344090) is 1-(difluoromethoxy)-2,4-difluorobenzene.
What is the SMILES notation for 1-(difluoromethoxy)-2,4-difluorobenzene?
The canonical SMILES for 1-(difluoromethoxy)-2,4-difluorobenzene is Fc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 1-(difluoromethoxy)-2,4-difluorobenzene?
The InChIKey is WGYLZEWBJOJPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4O/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,7H.
What are the key properties of 1-(difluoromethoxy)-2,4-difluorobenzene?
1-(difluoromethoxy)-2,4-difluorobenzene has a molecular weight of 180.10 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2,4-difluorobenzene is sourced from PubChem (CID 18344090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).