5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran

C18H18F2O — CID 164670912

IUPAC5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran
SMILESCC1(C)OC(C)(C)c2cc(-c3cc(F)cc(F)c3)ccc21
InChIInChI=1S/C18H18F2O/c1-17(2)15-6-5-11(9-16(15)18(3,4)21-17)12-7-13(19)10-14(20)8-12/h5-10H,1-4H3
InChIKeyLYLFNCBQEZKWLH-UHFFFAOYSA-N
MW288.34 g/mol
LogP5.13
Rot. Bonds1

About 5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran

5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran (PubChem CID 164670912) has the molecular formula C18H18F2O and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran
PubChem CID164670912
Molecular FormulaC18H18F2O
Molecular Weight288.34 g/mol
Exact Mass288.13
IUPAC Name5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran
SMILESCC1(C)OC(C)(C)c2cc(-c3cc(F)cc(F)c3)ccc21
InChIInChI=1S/C18H18F2O/c1-17(2)15-6-5-11(9-16(15)18(3,4)21-17)12-7-13(19)10-14(20)8-12/h5-10H,1-4H3
InChIKeyLYLFNCBQEZKWLH-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.34
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
CID 9856159
(2S,3R,4S,5R)-3,4-dimethyl-2,5-bis(4-methylphenyl)oxolane
CID 145958819
2,2-Bis(4-fluorophenyl)tetrahydrofuran
CID 96739
2-(4-Fluorophenyl)tetrahydro-2-phenylfuran
CID 3019788
1-(4-fluorophenyl)-1-(4-methylpentyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
CID 45263392
3-[[(E)-3-phenylprop-2-enoxy]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 127044322
3-(3-phenylpropoxymethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 127044323
3-[[(2E,4E)-5-phenylpenta-2,4-dienoxy]methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 127044324
(12R,15S)-2,2,3,3,8,8,9,9-octafluoro-19-oxapentacyclo[8.6.2.24,7.112,15.011,16]henicosa-1(16),4,6,10,13,17,20-heptaene
CID 10884261
6-(Trifluoromethyl)-1,4-dihydro-1,4-epoxynaphthalene
CID 12153293
1-(Trifluoromethyl)-1-methyl-1,3-dihydroisobenzofuran
CID 101513430
Phthalan, 1,1-dimethyl-3-phenyl-
CID 610622

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran?
The IUPAC name of 5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran (CID 164670912) is 5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran?
The canonical SMILES for 5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran is CC1(C)OC(C)(C)c2cc(-c3cc(F)cc(F)c3)ccc21.
What is the InChIKey of 5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran?
The InChIKey is LYLFNCBQEZKWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O/c1-17(2)15-6-5-11(9-16(15)18(3,4)21-17)12-7-13(19)10-14(20)8-12/h5-10H,1-4H3.
What are the key properties of 5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran?
5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran has a molecular weight of 288.34 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-1,1,3,3-tetramethyl-2-benzofuran is sourced from PubChem (CID 164670912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).