2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane

C21H20F3N — CID 142283871

IUPAC2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane
SMILESC=Cc1ccc2cc(-c3cc(C(F)(F)F)c[nH]3)ccc2c1C=C.CC
InChIInChI=1S/C19H14F3N.C2H6/c1-3-12-5-6-13-9-14(7-8-17(13)16(12)4-2)18-10-15(11-23-18)19(20,21)22;1-2/h3-11,23H,1-2H2;1-2H3
InChIKeyDWAQYNMKRHMLIF-UHFFFAOYSA-N
MW343.39 g/mol
LogP7.17
Rot. Bonds3

About 2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane

2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane (PubChem CID 142283871) has the molecular formula C21H20F3N and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane.

Molecular Properties

Compound Name2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane
PubChem CID142283871
Molecular FormulaC21H20F3N
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane
SMILESC=Cc1ccc2cc(-c3cc(C(F)(F)F)c[nH]3)ccc2c1C=C.CC
InChIInChI=1S/C19H14F3N.C2H6/c1-3-12-5-6-13-9-14(7-8-17(13)16(12)4-2)18-10-15(11-23-18)19(20,21)22;1-2/h3-11,23H,1-2H2;1-2H3
InChIKeyDWAQYNMKRHMLIF-UHFFFAOYSA-N
XLogP7.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.39
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane?
The IUPAC name of 2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane (CID 142283871) is 2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane.
What is the SMILES notation for 2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane?
The canonical SMILES for 2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane is C=Cc1ccc2cc(-c3cc(C(F)(F)F)c[nH]3)ccc2c1C=C.CC.
What is the InChIKey of 2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane?
The InChIKey is DWAQYNMKRHMLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N.C2H6/c1-3-12-5-6-13-9-14(7-8-17(13)16(12)4-2)18-10-15(11-23-18)19(20,21)22;1-2/h3-11,23H,1-2H2;1-2H3.
What are the key properties of 2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane?
2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane has a molecular weight of 343.39 g/mol, XLogP of 7.17, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-bis(ethenyl)naphthalen-2-yl]-4-(trifluoromethyl)-1H-pyrrole;ethane is sourced from PubChem (CID 142283871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).