4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline

C19H9F6NO — CID 18511419

IUPAC4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(-c2cc3ccccc3o2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C19H9F6NO/c20-18(21,22)13-6-3-5-11-12(9-16(19(23,24)25)26-17(11)13)15-8-10-4-1-2-7-14(10)27-15/h1-9H
InChIKeyDVDSPWNLQDIHFR-UHFFFAOYSA-N
MW381.28 g/mol
LogP6.69
Rot. Bonds1

About 4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline

4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline (PubChem CID 18511419) has the molecular formula C19H9F6NO and a molecular weight of 381.28 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline
PubChem CID18511419
Molecular FormulaC19H9F6NO
Molecular Weight381.28 g/mol
Exact Mass381.06
IUPAC Name4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(-c2cc3ccccc3o2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C19H9F6NO/c20-18(21,22)13-6-3-5-11-12(9-16(19(23,24)25)26-17(11)13)15-8-10-4-1-2-7-14(10)27-15/h1-9H
InChIKeyDVDSPWNLQDIHFR-UHFFFAOYSA-N
XLogP6.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.28
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline?
The IUPAC name of 4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline (CID 18511419) is 4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline is FC(F)(F)c1cc(-c2cc3ccccc3o2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline?
The InChIKey is DVDSPWNLQDIHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F6NO/c20-18(21,22)13-6-3-5-11-12(9-16(19(23,24)25)26-17(11)13)15-8-10-4-1-2-7-14(10)27-15/h1-9H.
What are the key properties of 4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline?
4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline has a molecular weight of 381.28 g/mol, XLogP of 6.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2,8-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 18511419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).