5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran

C23H18F4O — CID 141158880

IUPAC5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(CC2Cc3cc(F)cc(-c4ccccc4C(F)(F)F)c3O2)cc1
InChIInChI=1S/C23H18F4O/c1-14-6-8-15(9-7-14)10-18-12-16-11-17(24)13-20(22(16)28-18)19-4-2-3-5-21(19)23(25,26)27/h2-9,11,13,18H,10,12H2,1H3
InChIKeyMDKOIQSHCQSIJL-UHFFFAOYSA-N
MW386.39 g/mol
LogP6.37
Rot. Bonds3

About 5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran

5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran (PubChem CID 141158880) has the molecular formula C23H18F4O and a molecular weight of 386.39 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
PubChem CID141158880
Molecular FormulaC23H18F4O
Molecular Weight386.39 g/mol
Exact Mass386.13
IUPAC Name5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(CC2Cc3cc(F)cc(-c4ccccc4C(F)(F)F)c3O2)cc1
InChIInChI=1S/C23H18F4O/c1-14-6-8-15(9-7-14)10-18-12-16-11-17(24)13-20(22(16)28-18)19-4-2-3-5-21(19)23(25,26)27/h2-9,11,13,18H,10,12H2,1H3
InChIKeyMDKOIQSHCQSIJL-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.39
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 15940770
[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate
CID 86599086
[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
CID 141132370
N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
CID 69262092
[6-fluoro-8-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxathiin-2-yl]methyl 4-methylbenzenesulfonate
CID 59378250
7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141158954
2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 174539381
[7-(2,6-dimethylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11448636
[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11323664
methyl 4-methyl-2-[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonate
CID 91262951
7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 143567581
[(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95208721

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran (CID 141158880) is 5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran is Cc1ccc(CC2Cc3cc(F)cc(-c4ccccc4C(F)(F)F)c3O2)cc1.
What is the InChIKey of 5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
The InChIKey is MDKOIQSHCQSIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4O/c1-14-6-8-15(9-7-14)10-18-12-16-11-17(24)13-20(22(16)28-18)19-4-2-3-5-21(19)23(25,26)27/h2-9,11,13,18H,10,12H2,1H3.
What are the key properties of 5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran?
5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran has a molecular weight of 386.39 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methylphenyl)methyl]-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 141158880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).