4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran

C16H12F2O — CID 167121438

IUPAC4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran
SMILESC=C(C)c1ccc2c(oc3c(F)c(C)ccc32)c1F
InChIInChI=1S/C16H12F2O/c1-8(2)10-6-7-12-11-5-4-9(3)13(17)15(11)19-16(12)14(10)18/h4-7H,1H2,2-3H3
InChIKeyUUSLJYCFNVKDKY-UHFFFAOYSA-N
MW258.27 g/mol
LogP5.21
Rot. Bonds1

About 4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran

4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran (PubChem CID 167121438) has the molecular formula C16H12F2O and a molecular weight of 258.27 g/mol. Its IUPAC name is 4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran.

Molecular Properties

Compound Name4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran
PubChem CID167121438
Molecular FormulaC16H12F2O
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran
SMILESC=C(C)c1ccc2c(oc3c(F)c(C)ccc32)c1F
InChIInChI=1S/C16H12F2O/c1-8(2)10-6-7-12-11-5-4-9(3)13(17)15(11)19-16(12)14(10)18/h4-7H,1H2,2-3H3
InChIKeyUUSLJYCFNVKDKY-UHFFFAOYSA-N
XLogP5.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.27
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran?
The IUPAC name of 4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran (CID 167121438) is 4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran.
What is the SMILES notation for 4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran?
The canonical SMILES for 4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran is C=C(C)c1ccc2c(oc3c(F)c(C)ccc32)c1F.
What is the InChIKey of 4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran?
The InChIKey is UUSLJYCFNVKDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O/c1-8(2)10-6-7-12-11-5-4-9(3)13(17)15(11)19-16(12)14(10)18/h4-7H,1H2,2-3H3.
What are the key properties of 4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran?
4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran has a molecular weight of 258.27 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran is sourced from PubChem (CID 167121438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).