2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one

C16H10ClF4NO2 — CID 137379300

IUPAC2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCC(Oc2ccc(C(F)(F)F)c(F)c2)c2nc(Cl)ccc21
InChIInChI=1S/C16H10ClF4NO2/c17-14-6-2-9-12(23)4-5-13(15(9)22-14)24-8-1-3-10(11(18)7-8)16(19,20)21/h1-3,6-7,13H,4-5H2
InChIKeyVFHMXVBYACLBSM-UHFFFAOYSA-N
MW359.71 g/mol
LogP4.99
Rot. Bonds2

About 2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one

2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 137379300) has the molecular formula C16H10ClF4NO2 and a molecular weight of 359.71 g/mol. Its IUPAC name is 2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one
PubChem CID137379300
Molecular FormulaC16H10ClF4NO2
Molecular Weight359.71 g/mol
Exact Mass359.03
IUPAC Name2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCC(Oc2ccc(C(F)(F)F)c(F)c2)c2nc(Cl)ccc21
InChIInChI=1S/C16H10ClF4NO2/c17-14-6-2-9-12(23)4-5-13(15(9)22-14)24-8-1-3-10(11(18)7-8)16(19,20)21/h1-3,6-7,13H,4-5H2
InChIKeyVFHMXVBYACLBSM-UHFFFAOYSA-N
XLogP4.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.71
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one (CID 137379300) is 2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one is O=C1CCC(Oc2ccc(C(F)(F)F)c(F)c2)c2nc(Cl)ccc21.
What is the InChIKey of 2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is VFHMXVBYACLBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4NO2/c17-14-6-2-9-12(23)4-5-13(15(9)22-14)24-8-1-3-10(11(18)7-8)16(19,20)21/h1-3,6-7,13H,4-5H2.
What are the key properties of 2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one?
2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 359.71 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-[3-fluoro-4-(trifluoromethyl)phenoxy]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 137379300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).