2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline

C18H11ClF3N — CID 127041139

IUPAC2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline
SMILESFC(F)(F)c1cccc(/C=C\c2cc3ccccc3nc2Cl)c1
InChIInChI=1S/C18H11ClF3N/c19-17-14(11-13-5-1-2-7-16(13)23-17)9-8-12-4-3-6-15(10-12)18(20,21)22/h1-11H/b9-8-
InChIKeySRVCVLHHMUDBQD-HJWRWDBZSA-N
MW333.74 g/mol
LogP6.08
Rot. Bonds2

About 2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline

2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline (PubChem CID 127041139) has the molecular formula C18H11ClF3N and a molecular weight of 333.74 g/mol. Its IUPAC name is 2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline
PubChem CID127041139
Molecular FormulaC18H11ClF3N
Molecular Weight333.74 g/mol
Exact Mass333.05
IUPAC Name2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline
SMILESFC(F)(F)c1cccc(/C=C\c2cc3ccccc3nc2Cl)c1
InChIInChI=1S/C18H11ClF3N/c19-17-14(11-13-5-1-2-7-16(13)23-17)9-8-12-4-3-6-15(10-12)18(20,21)22/h1-11H/b9-8-
InChIKeySRVCVLHHMUDBQD-HJWRWDBZSA-N
XLogP6.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.74
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline?
The IUPAC name of 2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline (CID 127041139) is 2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline.
What is the SMILES notation for 2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline?
The canonical SMILES for 2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline is FC(F)(F)c1cccc(/C=C\c2cc3ccccc3nc2Cl)c1.
What is the InChIKey of 2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline?
The InChIKey is SRVCVLHHMUDBQD-HJWRWDBZSA-N. The full InChI is InChI=1S/C18H11ClF3N/c19-17-14(11-13-5-1-2-7-16(13)23-17)9-8-12-4-3-6-15(10-12)18(20,21)22/h1-11H/b9-8-.
What are the key properties of 2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline?
2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline has a molecular weight of 333.74 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline is sourced from PubChem (CID 127041139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).