7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline

C16H9ClF3NO — CID 19878983

IUPAC7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline
SMILESFC(F)(F)c1ccc(Oc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H9ClF3NO/c17-11-3-6-13-14(9-11)21-8-7-15(13)22-12-4-1-10(2-5-12)16(18,19)20/h1-9H
InChIKeyQRUKDTBVLXFOIH-UHFFFAOYSA-N
MW323.70 g/mol
LogP5.70
Rot. Bonds2

About 7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline

7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline (PubChem CID 19878983) has the molecular formula C16H9ClF3NO and a molecular weight of 323.70 g/mol. Its IUPAC name is 7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline
PubChem CID19878983
Molecular FormulaC16H9ClF3NO
Molecular Weight323.70 g/mol
Exact Mass323.03
IUPAC Name7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline
SMILESFC(F)(F)c1ccc(Oc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H9ClF3NO/c17-11-3-6-13-14(9-11)21-8-7-15(13)22-12-4-1-10(2-5-12)16(18,19)20/h1-9H
InChIKeyQRUKDTBVLXFOIH-UHFFFAOYSA-N
XLogP5.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.70
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline?
The IUPAC name of 7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline (CID 19878983) is 7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline.
What is the SMILES notation for 7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline?
The canonical SMILES for 7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline is FC(F)(F)c1ccc(Oc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline?
The InChIKey is QRUKDTBVLXFOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO/c17-11-3-6-13-14(9-11)21-8-7-15(13)22-12-4-1-10(2-5-12)16(18,19)20/h1-9H.
What are the key properties of 7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline?
7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline has a molecular weight of 323.70 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(trifluoromethyl)phenoxy]quinoline is sourced from PubChem (CID 19878983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).