2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline

C25H12F9N — CID 59859395

IUPAC2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline
SMILESFC(F)(F)c1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3ccc4ccccc4n3)ccc1-2
InChIInChI=1S/C25H12F9N/c26-23(27,28)15-7-9-17-16-8-5-14(21-10-6-13-3-1-2-4-20(13)35-21)11-18(16)22(19(17)12-15,24(29,30)31)25(32,33)34/h1-12H
InChIKeyLEQXUKBDKUJNQG-UHFFFAOYSA-N
MW497.36 g/mol
LogP8.31
Rot. Bonds1

About 2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline

2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline (PubChem CID 59859395) has the molecular formula C25H12F9N and a molecular weight of 497.36 g/mol. Its IUPAC name is 2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline.

Molecular Properties

Compound Name2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline
PubChem CID59859395
Molecular FormulaC25H12F9N
Molecular Weight497.36 g/mol
Exact Mass497.08
IUPAC Name2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline
SMILESFC(F)(F)c1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3ccc4ccccc4n3)ccc1-2
InChIInChI=1S/C25H12F9N/c26-23(27,28)15-7-9-17-16-8-5-14(21-10-6-13-3-1-2-4-20(13)35-21)11-18(16)22(19(17)12-15,24(29,30)31)25(32,33)34/h1-12H
InChIKeyLEQXUKBDKUJNQG-UHFFFAOYSA-N
XLogP8.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.36
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline
CID 59859336
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline
CID 144941214
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline
CID 168797147
2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
CID 59747285
trimethyl-[4-[4-(6-quinolin-2-ylnaphthalen-2-yl)phenyl]phenyl]silane
CID 171056328
2-(23,23-diethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)quinoline
CID 140841960
2-[2-(3,5-dipyridin-4-ylphenyl)-5,5,10,10-tetramethylindeno[2,1-a]inden-7-yl]quinoline
CID 90068471
2-[3-(3-tert-butylphenyl)-4-[3-[2-(3-tert-butylphenyl)-4-quinolin-2-ylphenyl]-2-(3,5-dimethylphenyl)phenyl]phenyl]quinoline
CID 153422771
4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline
CID 59859389
2-[4-(3-fluorophenyl)phenyl]quinoline
CID 171056461
2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene
CID 59512925

Frequently Asked Questions

What is the IUPAC name of 2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline?
The IUPAC name of 2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline (CID 59859395) is 2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline.
What is the SMILES notation for 2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline?
The canonical SMILES for 2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline is FC(F)(F)c1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)c1cc(-c3ccc4ccccc4n3)ccc1-2.
What is the InChIKey of 2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline?
The InChIKey is LEQXUKBDKUJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H12F9N/c26-23(27,28)15-7-9-17-16-8-5-14(21-10-6-13-3-1-2-4-20(13)35-21)11-18(16)22(19(17)12-15,24(29,30)31)25(32,33)34/h1-12H.
What are the key properties of 2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline?
2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline has a molecular weight of 497.36 g/mol, XLogP of 8.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline is sourced from PubChem (CID 59859395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).