2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran

C20H13F3O — CID 132583802

IUPAC2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran
SMILESC=C1Oc2ccc3ccccc3c2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H13F3O/c1-12-18(14-6-9-15(10-7-14)20(21,22)23)19-16-5-3-2-4-13(16)8-11-17(19)24-12/h2-11,18H,1H2
InChIKeyKCLGNQMDZSOCGY-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.90
Rot. Bonds1

About 2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran

2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran (PubChem CID 132583802) has the molecular formula C20H13F3O and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran.

Molecular Properties

Compound Name2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran
PubChem CID132583802
Molecular FormulaC20H13F3O
Molecular Weight326.32 g/mol
Exact Mass326.09
IUPAC Name2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran
SMILESC=C1Oc2ccc3ccccc3c2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H13F3O/c1-12-18(14-6-9-15(10-7-14)20(21,22)23)19-16-5-3-2-4-13(16)8-11-17(19)24-12/h2-11,18H,1H2
InChIKeyKCLGNQMDZSOCGY-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran
CID 132583807
10-(trifluoromethyl)-12H-benzo[a]xanthen-12-ol
CID 145218568
2-[4-(10-phenylanthracen-9-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578133
2-(4-phenanthren-9-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578169
1-ethyl-2-methylidene-1H-benzo[e][1]benzofuran
CID 132583813
2-(4-dibenzothiophen-3-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578789
4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline
CID 45258388
2-(4-dodecylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102173164
(1S)-3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 818621
2-(4-dibenzofuran-3-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578788
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578778
4,17-dimethyl-6,15-bis[4-(trifluoromethyl)phenyl]-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),4,8,10,12,16-heptaene-5,16-dicarbonitrile
CID 58465422

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran?
The IUPAC name of 2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran (CID 132583802) is 2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran.
What is the SMILES notation for 2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran?
The canonical SMILES for 2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran is C=C1Oc2ccc3ccccc3c2C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran?
The InChIKey is KCLGNQMDZSOCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3O/c1-12-18(14-6-9-15(10-7-14)20(21,22)23)19-16-5-3-2-4-13(16)8-11-17(19)24-12/h2-11,18H,1H2.
What are the key properties of 2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran?
2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran has a molecular weight of 326.32 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran is sourced from PubChem (CID 132583802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).