1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene

C11H8F8O — CID 123356933

IUPAC1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F8O/c1-9(10(14,15)16,11(17,18)19)20-5-6-7(12)3-2-4-8(6)13/h2-4H,5H2,1H3
InChIKeyUCIHDQRMEMNDHU-UHFFFAOYSA-N
MW308.17 g/mol
LogP4.36
Rot. Bonds3

About 1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene

1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 123356933) has the molecular formula C11H8F8O and a molecular weight of 308.17 g/mol. Its IUPAC name is 1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID123356933
Molecular FormulaC11H8F8O
Molecular Weight308.17 g/mol
Exact Mass308.04
IUPAC Name1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F8O/c1-9(10(14,15)16,11(17,18)19)20-5-6-7(12)3-2-4-8(6)13/h2-4H,5H2,1H3
InChIKeyUCIHDQRMEMNDHU-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene?
The IUPAC name of 1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene (CID 123356933) is 1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene is CC(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is UCIHDQRMEMNDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F8O/c1-9(10(14,15)16,11(17,18)19)20-5-6-7(12)3-2-4-8(6)13/h2-4H,5H2,1H3.
What are the key properties of 1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene?
1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 308.17 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 123356933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).