6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline

C10H11F2NO — CID 16792853

IUPAC6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)Oc1ccc2c(c1)CCCN2
InChIInChI=1S/C10H11F2NO/c11-10(12)14-8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6,10,13H,1-2,5H2
InChIKeyDZDFJYGJGKTWJD-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.65
Rot. Bonds2

About 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline

6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 16792853) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID16792853
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)Oc1ccc2c(c1)CCCN2
InChIInChI=1S/C10H11F2NO/c11-10(12)14-8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6,10,13H,1-2,5H2
InChIKeyDZDFJYGJGKTWJD-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 71432329
6-cyclohexyloxy-1,2,3,4-tetrahydroquinoline
CID 115075220
6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075316
[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 120983074
6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline
CID 84683949
1,2,3,4-tetrahydroquinolin-6-yl hexanoate
CID 23036154
6-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075243
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 162368247
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline (CID 16792853) is 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline is FC(F)Oc1ccc2c(c1)CCCN2.
What is the InChIKey of 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is DZDFJYGJGKTWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12)14-8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6,10,13H,1-2,5H2.
What are the key properties of 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline?
6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 199.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 16792853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).