1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran

C25H15F3O2 — CID 161173227

IUPAC1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran
SMILESCc1ccc2oc3cccc(F)c3c2c1.Fc1cccc2c1oc1cccc(F)c12
InChIInChI=1S/C13H9FO.C12H6F2O/c1-8-5-6-11-9(7-8)13-10(14)3-2-4-12(13)15-11;13-8-4-2-6-10-11(8)7-3-1-5-9(14)12(7)15-10/h2-7H,1H3;1-6H
InChIKeyURLQSLCQCALZGB-UHFFFAOYSA-N
MW404.39 g/mol
LogP7.90
Rot. Bonds

About 1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran

1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran (PubChem CID 161173227) has the molecular formula C25H15F3O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran.

Molecular Properties

Compound Name1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran
PubChem CID161173227
Molecular FormulaC25H15F3O2
Molecular Weight404.39 g/mol
Exact Mass404.10
IUPAC Name1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran
SMILESCc1ccc2oc3cccc(F)c3c2c1.Fc1cccc2c1oc1cccc(F)c12
InChIInChI=1S/C13H9FO.C12H6F2O/c1-8-5-6-11-9(7-8)13-10(14)3-2-4-12(13)15-11;13-8-4-2-6-10-11(8)7-3-1-5-9(14)12(7)15-10/h2-7H,1H3;1-6H
InChIKeyURLQSLCQCALZGB-UHFFFAOYSA-N
XLogP7.90
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
11-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 144743872
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
5,18-dimethyl-9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene;9,22-ditelluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,20,23,25-tridecaene;5-methyl-9-oxa-22-telluraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,20,23,25-tridecaene
CID 159334876
N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine
CID 137417021
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
6-fluoro-[1]benzofuro[3,2-b]chromen-11-one
CID 132822183
2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran
CID 159327549
2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156521704
4,8-dimethyldibenzofuran-1-ol
CID 13310284
5-fluoro-1-(2-methyldibenzofuran-4-yl)-4-propan-2-ylisoquinoline
CID 170683645

Frequently Asked Questions

What is the IUPAC name of 1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran?
The IUPAC name of 1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran (CID 161173227) is 1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran.
What is the SMILES notation for 1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran?
The canonical SMILES for 1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran is Cc1ccc2oc3cccc(F)c3c2c1.Fc1cccc2c1oc1cccc(F)c12.
What is the InChIKey of 1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran?
The InChIKey is URLQSLCQCALZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO.C12H6F2O/c1-8-5-6-11-9(7-8)13-10(14)3-2-4-12(13)15-11;13-8-4-2-6-10-11(8)7-3-1-5-9(14)12(7)15-10/h2-7H,1H3;1-6H.
What are the key properties of 1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran?
1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran has a molecular weight of 404.39 g/mol, XLogP of 7.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran is sourced from PubChem (CID 161173227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).