1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene

C11H13F3O — CID 132514351

IUPAC1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene
SMILESCOC(C)(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H13F3O/c1-11(15-2,7-10(13)14)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyXZBIHKWDEBGPCI-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.34
Rot. Bonds4

About 1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene

1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene (PubChem CID 132514351) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene
PubChem CID132514351
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene
SMILESCOC(C)(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H13F3O/c1-11(15-2,7-10(13)14)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyXZBIHKWDEBGPCI-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene?
The IUPAC name of 1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene (CID 132514351) is 1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene?
The canonical SMILES for 1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene is COC(C)(CC(F)F)c1ccc(F)cc1.
What is the InChIKey of 1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene?
The InChIKey is XZBIHKWDEBGPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-11(15-2,7-10(13)14)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3.
What are the key properties of 1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene?
1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene has a molecular weight of 218.22 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-2-methoxybutan-2-yl)-4-fluorobenzene is sourced from PubChem (CID 132514351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).