1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene

C10H10F4O — CID 176611239

IUPAC1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene
SMILESCC(C)c1cc(F)c(F)cc1OC(F)F
InChIInChI=1S/C10H10F4O/c1-5(2)6-3-7(11)8(12)4-9(6)15-10(13)14/h3-5,10H,1-2H3
InChIKeyVVFQGFZWLGCXBR-UHFFFAOYSA-N
MW222.18 g/mol
LogP3.69
Rot. Bonds3

About 1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene

1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene (PubChem CID 176611239) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene
PubChem CID176611239
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene
SMILESCC(C)c1cc(F)c(F)cc1OC(F)F
InChIInChI=1S/C10H10F4O/c1-5(2)6-3-7(11)8(12)4-9(6)15-10(13)14/h3-5,10H,1-2H3
InChIKeyVVFQGFZWLGCXBR-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene?
The IUPAC name of 1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene (CID 176611239) is 1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene is CC(C)c1cc(F)c(F)cc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene?
The InChIKey is VVFQGFZWLGCXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O/c1-5(2)6-3-7(11)8(12)4-9(6)15-10(13)14/h3-5,10H,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene?
1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene has a molecular weight of 222.18 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene is sourced from PubChem (CID 176611239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).