2-chloro-4-(trifluoromethoxy)quinoline

C10H5ClF3NO — CID 150452765

IUPAC2-chloro-4-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1cc(Cl)nc2ccccc12
InChIInChI=1S/C10H5ClF3NO/c11-9-5-8(16-10(12,13)14)6-3-1-2-4-7(6)15-9/h1-5H
InChIKeyHODRDORIPIAFKX-UHFFFAOYSA-N
MW247.60 g/mol
LogP3.79
Rot. Bonds1

About 2-chloro-4-(trifluoromethoxy)quinoline

2-chloro-4-(trifluoromethoxy)quinoline (PubChem CID 150452765) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethoxy)quinoline
PubChem CID150452765
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name2-chloro-4-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1cc(Cl)nc2ccccc12
InChIInChI=1S/C10H5ClF3NO/c11-9-5-8(16-10(12,13)14)6-3-1-2-4-7(6)15-9/h1-5H
InChIKeyHODRDORIPIAFKX-UHFFFAOYSA-N
XLogP3.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethoxy)quinoline
CID 118835416
2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline
CID 102235402
2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
CID 42597518
2,3,6-trichloro-4-(trifluoromethoxy)pyridine
CID 119007597
2-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyquinoline
CID 151928380
4-[(2-bromophenyl)methoxy]-2-chloroquinoline
CID 42597758
5-(trifluoromethoxy)quinolin-2-amine
CID 125425664
2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552724
2-chloroquinolin-4-amine;hydrochloride
CID 71627055
4-chloro-2-(trifluoromethyl)quinoline
CID 2736709
6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 133087757
2-chloro-4-(2-chlorophenyl)quinoline
CID 21488606

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethoxy)quinoline?
The IUPAC name of 2-chloro-4-(trifluoromethoxy)quinoline (CID 150452765) is 2-chloro-4-(trifluoromethoxy)quinoline.
What is the SMILES notation for 2-chloro-4-(trifluoromethoxy)quinoline?
The canonical SMILES for 2-chloro-4-(trifluoromethoxy)quinoline is FC(F)(F)Oc1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-4-(trifluoromethoxy)quinoline?
The InChIKey is HODRDORIPIAFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-9-5-8(16-10(12,13)14)6-3-1-2-4-7(6)15-9/h1-5H.
What are the key properties of 2-chloro-4-(trifluoromethoxy)quinoline?
2-chloro-4-(trifluoromethoxy)quinoline has a molecular weight of 247.60 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethoxy)quinoline is sourced from PubChem (CID 150452765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).