2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline

C17H25F2NO — CID 158440879

IUPAC2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline
SMILESCOCCCCC(F)(F)CCc1ccc2c(n1)CCCC2
InChIInChI=1S/C17H25F2NO/c1-21-13-5-4-11-17(18,19)12-10-15-9-8-14-6-2-3-7-16(14)20-15/h8-9H,2-7,10-13H2,1H3
InChIKeyMJRTZTQRVLMCKD-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.34
Rot. Bonds8

About 2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline

2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 158440879) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline
PubChem CID158440879
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline
SMILESCOCCCCC(F)(F)CCc1ccc2c(n1)CCCC2
InChIInChI=1S/C17H25F2NO/c1-21-13-5-4-11-17(18,19)12-10-15-9-8-14-6-2-3-7-16(14)20-15/h8-9H,2-7,10-13H2,1H3
InChIKeyMJRTZTQRVLMCKD-UHFFFAOYSA-N
XLogP4.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine
CID 175526978
1-(azetidin-3-yl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentan-2-one
CID 158030932
6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile
CID 13133503
(3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one
CID 157367520
2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 138374175
2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 122650556
2-methoxy-5,6,7,8-tetrahydroquinoline
CID 18180283
7-(2-cyclohexylethyl)-2-(3,3,4-trifluorobutyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine
CID 155347183
N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide
CID 90986738
(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]-2-(quinolin-4-ylamino)butanoic acid
CID 160653467
methyl 2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetate
CID 157053292
(2R)-2-[2-(methoxymethyl)phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
CID 157194519

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline (CID 158440879) is 2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline is COCCCCC(F)(F)CCc1ccc2c(n1)CCCC2.
What is the InChIKey of 2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is MJRTZTQRVLMCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-21-13-5-4-11-17(18,19)12-10-15-9-8-14-6-2-3-7-16(14)20-15/h8-9H,2-7,10-13H2,1H3.
What are the key properties of 2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline?
2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 297.39 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 158440879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).