3-(2,2,2-trifluoroethyl)quinoline

C11H8F3N — CID 102230069

IUPAC3-(2,2,2-trifluoroethyl)quinoline
SMILESFC(F)(F)Cc1cnc2ccccc2c1
InChIInChI=1S/C11H8F3N/c12-11(13,14)6-8-5-9-3-1-2-4-10(9)15-7-8/h1-5,7H,6H2
InChIKeyZFJZNKMMXZWEFL-UHFFFAOYSA-N
MW211.19 g/mol
LogP3.34
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)quinoline

3-(2,2,2-trifluoroethyl)quinoline (PubChem CID 102230069) has the molecular formula C11H8F3N and a molecular weight of 211.19 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)quinoline.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)quinoline
PubChem CID102230069
Molecular FormulaC11H8F3N
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name3-(2,2,2-trifluoroethyl)quinoline
SMILESFC(F)(F)Cc1cnc2ccccc2c1
InChIInChI=1S/C11H8F3N/c12-11(13,14)6-8-5-9-3-1-2-4-10(9)15-7-8/h1-5,7H,6H2
InChIKeyZFJZNKMMXZWEFL-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 154466638
2-quinolin-3-ylethanol
CID 53403774
3-(3,3-dimethylbutyl)quinoline
CID 58808300
2-quinolin-3-ylethanamine;hydrochloride
CID 68724239
3-(2-methylpropyl)quinoline
CID 12072851
3-(3,3,3-trifluoropropoxy)quinoline
CID 102846999
2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride
CID 87121230
bis(2-methyl-4-oxo-1-quinolin-3-ylhexan-2-yl) carbonate
CID 90864145
3-[(4-fluorophenoxy)methyl]quinoline
CID 174564086
4-(quinolin-3-ylmethoxy)aniline
CID 19733697
3-[(4-bromophenyl)methyl]quinoline
CID 67155836
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)quinoline?
The IUPAC name of 3-(2,2,2-trifluoroethyl)quinoline (CID 102230069) is 3-(2,2,2-trifluoroethyl)quinoline.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)quinoline?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)quinoline is FC(F)(F)Cc1cnc2ccccc2c1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)quinoline?
The InChIKey is ZFJZNKMMXZWEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N/c12-11(13,14)6-8-5-9-3-1-2-4-10(9)15-7-8/h1-5,7H,6H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)quinoline?
3-(2,2,2-trifluoroethyl)quinoline has a molecular weight of 211.19 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)quinoline is sourced from PubChem (CID 102230069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).