2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene

C10H11F3O — CID 167302491

IUPAC2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1OC(F)F
InChIInChI=1S/C10H11F3O/c1-6(2)8-4-3-7(11)5-9(8)14-10(12)13/h3-6,10H,1-2H3
InChIKeyWAACTBZLMFDGIS-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.55
Rot. Bonds3

About 2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene

2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene (PubChem CID 167302491) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
PubChem CID167302491
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1OC(F)F
InChIInChI=1S/C10H11F3O/c1-6(2)8-4-3-7(11)5-9(8)14-10(12)13/h3-6,10H,1-2H3
InChIKeyWAACTBZLMFDGIS-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene
CID 71127951
N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638
1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene
CID 176611239
4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene
CID 177170739
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol
CID 171858524
[2-(difluoromethoxy)-5-fluorophenyl]boronic acid
CID 43145368
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene?
The IUPAC name of 2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene (CID 167302491) is 2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene.
What is the SMILES notation for 2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene?
The canonical SMILES for 2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene is CC(C)c1ccc(F)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene?
The InChIKey is WAACTBZLMFDGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-6(2)8-4-3-7(11)5-9(8)14-10(12)13/h3-6,10H,1-2H3.
What are the key properties of 2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene?
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene has a molecular weight of 204.19 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene is sourced from PubChem (CID 167302491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).