2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline

C22H14F3NO — CID 2765458

IUPAC2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2cc3ccccc3nc2Oc2ccccc2)c1
InChIInChI=1S/C22H14F3NO/c23-22(24,25)17-9-6-8-15(13-17)19-14-16-7-4-5-12-20(16)26-21(19)27-18-10-2-1-3-11-18/h1-14H
InChIKeySZAYLPAUERXXEB-UHFFFAOYSA-N
MW365.35 g/mol
LogP6.71
Rot. Bonds3

About 2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline

2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline (PubChem CID 2765458) has the molecular formula C22H14F3NO and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline
PubChem CID2765458
Molecular FormulaC22H14F3NO
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2cc3ccccc3nc2Oc2ccccc2)c1
InChIInChI=1S/C22H14F3NO/c23-22(24,25)17-9-6-8-15(13-17)19-14-16-7-4-5-12-20(16)26-21(19)27-18-10-2-1-3-11-18/h1-14H
InChIKeySZAYLPAUERXXEB-UHFFFAOYSA-N
XLogP6.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.35
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 99383
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CID 1481967
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CID 826247
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CID 81118
CID 81118
CID 44432660
CID 44432660
CID 44432680
CID 44432680
CID 44472991
CID 44472991
CID 91971313
CID 91971313
CID 118443998
CID 118443998
CID 164624366
CID 164624366
CID 737473
CID 737473
CID 44432682
CID 44432682

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline (CID 2765458) is 2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline is FC(F)(F)c1cccc(-c2cc3ccccc3nc2Oc2ccccc2)c1.
What is the InChIKey of 2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline?
The InChIKey is SZAYLPAUERXXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3NO/c23-22(24,25)17-9-6-8-15(13-17)19-14-16-7-4-5-12-20(16)26-21(19)27-18-10-2-1-3-11-18/h1-14H.
What are the key properties of 2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline?
2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline has a molecular weight of 365.35 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 2765458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).