2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline

C9H8ClF2N — CID 167726693

IUPAC2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline
SMILESFC1(F)CCc2nc(Cl)ccc2C1
InChIInChI=1S/C9H8ClF2N/c10-8-2-1-6-5-9(11,12)4-3-7(6)13-8/h1-2H,3-5H2
InChIKeyBMJMDAXCCQXVPH-UHFFFAOYSA-N
MW203.62 g/mol
LogP2.86
Rot. Bonds

About 2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline

2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline (PubChem CID 167726693) has the molecular formula C9H8ClF2N and a molecular weight of 203.62 g/mol. Its IUPAC name is 2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline.

Molecular Properties

Compound Name2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline
PubChem CID167726693
Molecular FormulaC9H8ClF2N
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline
SMILESFC1(F)CCc2nc(Cl)ccc2C1
InChIInChI=1S/C9H8ClF2N/c10-8-2-1-6-5-9(11,12)4-3-7(6)13-8/h1-2H,3-5H2
InChIKeyBMJMDAXCCQXVPH-UHFFFAOYSA-N
XLogP2.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-6,6-difluoro-7,8-dihydro-5H-quinoline?
The IUPAC name of 2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline (CID 167726693) is 2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline.
What is the SMILES notation for 2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline?
The canonical SMILES for 2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline is FC1(F)CCc2nc(Cl)ccc2C1.
What is the InChIKey of 2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline?
The InChIKey is BMJMDAXCCQXVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N/c10-8-2-1-6-5-9(11,12)4-3-7(6)13-8/h1-2H,3-5H2.
What are the key properties of 2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline?
2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline has a molecular weight of 203.62 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,6-difluoro-7,8-dihydro-5H-quinoline is sourced from PubChem (CID 167726693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).