2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline

C24H13F6N — CID 59859336

IUPAC2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline
SMILESFC(F)(F)C1(C(F)(F)F)c2ccccc2-c2c(-c3ccc4ccccc4n3)cccc21
InChIInChI=1S/C24H13F6N/c25-23(26,27)22(24(28,29)30)17-9-3-2-7-15(17)21-16(8-5-10-18(21)22)20-13-12-14-6-1-4-11-19(14)31-20/h1-13H
InChIKeyFVMQSOGWXUDQLX-UHFFFAOYSA-N
MW429.36 g/mol
LogP7.29
Rot. Bonds1

About 2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline

2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline (PubChem CID 59859336) has the molecular formula C24H13F6N and a molecular weight of 429.36 g/mol. Its IUPAC name is 2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline.

Molecular Properties

Compound Name2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline
PubChem CID59859336
Molecular FormulaC24H13F6N
Molecular Weight429.36 g/mol
Exact Mass429.10
IUPAC Name2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline
SMILESFC(F)(F)C1(C(F)(F)F)c2ccccc2-c2c(-c3ccc4ccccc4n3)cccc21
InChIInChI=1S/C24H13F6N/c25-23(26,27)22(24(28,29)30)17-9-3-2-7-15(17)21-16(8-5-10-18(21)22)20-13-12-14-6-1-4-11-19(14)31-20/h1-13H
InChIKeyFVMQSOGWXUDQLX-UHFFFAOYSA-N
XLogP7.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.36
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline
CID 59859395
2-(2-fluorophenyl)quinoline
CID 11622684
2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride
CID 162334552
iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline
CID 177115881
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
2-[3-methoxy-2-(2-methoxy-6-methylphenyl)phenyl]quinoline
CID 23528867
2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline
CID 153485154
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
4-quinolin-2-yl-1,3-benzothiazole
CID 54266473
2-(9H-fluoren-1-yl)quinoline;iridium
CID 175928339
diphenyl-(2-quinolin-2-ylphenyl)methanol
CID 156790156
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline?
The IUPAC name of 2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline (CID 59859336) is 2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline.
What is the SMILES notation for 2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline?
The canonical SMILES for 2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline is FC(F)(F)C1(C(F)(F)F)c2ccccc2-c2c(-c3ccc4ccccc4n3)cccc21.
What is the InChIKey of 2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline?
The InChIKey is FVMQSOGWXUDQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F6N/c25-23(26,27)22(24(28,29)30)17-9-3-2-7-15(17)21-16(8-5-10-18(21)22)20-13-12-14-6-1-4-11-19(14)31-20/h1-13H.
What are the key properties of 2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline?
2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline has a molecular weight of 429.36 g/mol, XLogP of 7.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline is sourced from PubChem (CID 59859336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).