2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene

C12H15F3O2 — CID 170380810

IUPAC2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(OCCCF)c(F)c1F
InChIInChI=1S/C12H15F3O2/c1-8(2)17-10-5-4-9(11(14)12(10)15)16-7-3-6-13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyZIKOGYRLMZUESN-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.49
Rot. Bonds6

About 2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene

2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene (PubChem CID 170380810) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene
PubChem CID170380810
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(OCCCF)c(F)c1F
InChIInChI=1S/C12H15F3O2/c1-8(2)17-10-5-4-9(11(14)12(10)15)16-7-3-6-13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyZIKOGYRLMZUESN-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene?
The IUPAC name of 2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene (CID 170380810) is 2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene.
What is the SMILES notation for 2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene?
The canonical SMILES for 2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene is CC(C)Oc1ccc(OCCCF)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene?
The InChIKey is ZIKOGYRLMZUESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-8(2)17-10-5-4-9(11(14)12(10)15)16-7-3-6-13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene?
2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene has a molecular weight of 248.24 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene is sourced from PubChem (CID 170380810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).