4-chloro-2-(difluoromethyl)benzo[h]quinoline

C14H8ClF2N — CID 62890724

IUPAC4-chloro-2-(difluoromethyl)benzo[h]quinoline
SMILESFC(F)c1cc(Cl)c2ccc3ccccc3c2n1
InChIInChI=1S/C14H8ClF2N/c15-11-7-12(14(16)17)18-13-9-4-2-1-3-8(9)5-6-10(11)13/h1-7,14H
InChIKeyDXZZUOWBJJOCKQ-UHFFFAOYSA-N
MW263.67 g/mol
LogP4.98
Rot. Bonds1

About 4-chloro-2-(difluoromethyl)benzo[h]quinoline

4-chloro-2-(difluoromethyl)benzo[h]quinoline (PubChem CID 62890724) has the molecular formula C14H8ClF2N and a molecular weight of 263.67 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)benzo[h]quinoline.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)benzo[h]quinoline
PubChem CID62890724
Molecular FormulaC14H8ClF2N
Molecular Weight263.67 g/mol
Exact Mass263.03
IUPAC Name4-chloro-2-(difluoromethyl)benzo[h]quinoline
SMILESFC(F)c1cc(Cl)c2ccc3ccccc3c2n1
InChIInChI=1S/C14H8ClF2N/c15-11-7-12(14(16)17)18-13-9-4-2-1-3-8(9)5-6-10(11)13/h1-7,14H
InChIKeyDXZZUOWBJJOCKQ-UHFFFAOYSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)benzo[h]quinoline?
The IUPAC name of 4-chloro-2-(difluoromethyl)benzo[h]quinoline (CID 62890724) is 4-chloro-2-(difluoromethyl)benzo[h]quinoline.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)benzo[h]quinoline?
The canonical SMILES for 4-chloro-2-(difluoromethyl)benzo[h]quinoline is FC(F)c1cc(Cl)c2ccc3ccccc3c2n1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)benzo[h]quinoline?
The InChIKey is DXZZUOWBJJOCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N/c15-11-7-12(14(16)17)18-13-9-4-2-1-3-8(9)5-6-10(11)13/h1-7,14H.
What are the key properties of 4-chloro-2-(difluoromethyl)benzo[h]quinoline?
4-chloro-2-(difluoromethyl)benzo[h]quinoline has a molecular weight of 263.67 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)benzo[h]quinoline is sourced from PubChem (CID 62890724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).