1-(butan-2-yloxymethyl)-3,5-difluorobenzene

C11H14F2O — CID 169144381

IUPAC1-(butan-2-yloxymethyl)-3,5-difluorobenzene
SMILESCCC(C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2O/c1-3-8(2)14-7-9-4-10(12)6-11(13)5-9/h4-6,8H,3,7H2,1-2H3
InChIKeyHKYVGQWMSAANJJ-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.28
Rot. Bonds4

About 1-(butan-2-yloxymethyl)-3,5-difluorobenzene

1-(butan-2-yloxymethyl)-3,5-difluorobenzene (PubChem CID 169144381) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(butan-2-yloxymethyl)-3,5-difluorobenzene.

Molecular Properties

Compound Name1-(butan-2-yloxymethyl)-3,5-difluorobenzene
PubChem CID169144381
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(butan-2-yloxymethyl)-3,5-difluorobenzene
SMILESCCC(C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2O/c1-3-8(2)14-7-9-4-10(12)6-11(13)5-9/h4-6,8H,3,7H2,1-2H3
InChIKeyHKYVGQWMSAANJJ-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-yloxymethyl)-3,5-difluorobenzene?
The IUPAC name of 1-(butan-2-yloxymethyl)-3,5-difluorobenzene (CID 169144381) is 1-(butan-2-yloxymethyl)-3,5-difluorobenzene.
What is the SMILES notation for 1-(butan-2-yloxymethyl)-3,5-difluorobenzene?
The canonical SMILES for 1-(butan-2-yloxymethyl)-3,5-difluorobenzene is CCC(C)OCc1cc(F)cc(F)c1.
What is the InChIKey of 1-(butan-2-yloxymethyl)-3,5-difluorobenzene?
The InChIKey is HKYVGQWMSAANJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-3-8(2)14-7-9-4-10(12)6-11(13)5-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-(butan-2-yloxymethyl)-3,5-difluorobenzene?
1-(butan-2-yloxymethyl)-3,5-difluorobenzene has a molecular weight of 200.23 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-yloxymethyl)-3,5-difluorobenzene is sourced from PubChem (CID 169144381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).