2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline

C13H10F3N — CID 101096726

IUPAC2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline
SMILESC/C=C/c1ccc2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C13H10F3N/c1-2-4-10-8-7-9-5-3-6-11(12(9)17-10)13(14,15)16/h2-8H,1H3/b4-2+
InChIKeyRYXZZHDCJSDVQM-DUXPYHPUSA-N
MW237.22 g/mol
LogP4.29
Rot. Bonds1

About 2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline

2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline (PubChem CID 101096726) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline
PubChem CID101096726
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline
SMILESC/C=C/c1ccc2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C13H10F3N/c1-2-4-10-8-7-9-5-3-6-11(12(9)17-10)13(14,15)16/h2-8H,1H3/b4-2+
InChIKeyRYXZZHDCJSDVQM-DUXPYHPUSA-N
XLogP4.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline
CID 140769903
2-[(2S,3S)-3-methyloxiran-2-yl]-8-(trifluoromethyl)quinoline
CID 101096730
1-[(Z)-prop-1-enyl]-2-(trifluoromethyl)benzene
CID 143260561
2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile
CID 82243374
2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene
CID 176961443
2-piperidin-4-yl-8-(trifluoromethyl)quinoline
CID 70241298
3-chloro-2,8-bis(trifluoromethyl)quinoline
CID 22730365
2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine
CID 54485530
2-(5-methylpiperidin-3-yl)-8-(trifluoromethyl)quinoline
CID 134229175
2-chloro-3-methoxy-8-(trifluoromethyl)quinoline
CID 117246675
3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine
CID 71256499
2-[2-(2-methylphenyl)ethenyl]quinolin-8-ol
CID 2922355

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline?
The IUPAC name of 2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline (CID 101096726) is 2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline?
The canonical SMILES for 2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline is C/C=C/c1ccc2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline?
The InChIKey is RYXZZHDCJSDVQM-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H10F3N/c1-2-4-10-8-7-9-5-3-6-11(12(9)17-10)13(14,15)16/h2-8H,1H3/b4-2+.
What are the key properties of 2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline?
2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline has a molecular weight of 237.22 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 101096726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).