7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C17H24F2N2 — CID 139473822

IUPAC7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC=C(CCCCCc1ccc2c(n1)NCCC2)CC(F)F
InChIInChI=1S/C17H24F2N2/c1-13(12-16(18)19)6-3-2-4-8-15-10-9-14-7-5-11-20-17(14)21-15/h9-10,16H,1-8,11-12H2,(H,20,21)
InChIKeyMEWKUXHUYUERKH-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.75
Rot. Bonds8

About 7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 139473822) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID139473822
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC=C(CCCCCc1ccc2c(n1)NCCC2)CC(F)F
InChIInChI=1S/C17H24F2N2/c1-13(12-16(18)19)6-3-2-4-8-15-10-9-14-7-5-11-20-17(14)21-15/h9-10,16H,1-8,11-12H2,(H,20,21)
InChIKeyMEWKUXHUYUERKH-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(9,9-difluoro-5-methylidenenonyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473684
7-[5-methylidene-8-(2,2,2-trifluoroethoxy)octyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473699
3-hydroxy-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 90338346
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol
CID 176962409
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
3-phenyl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 75002097
3-amino-5-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pent-1-en-2-ol
CID 171832938
7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
CID 177029160
7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]hept-1-en-3-ol
CID 123531103
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213

Frequently Asked Questions

What is the IUPAC name of 7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 139473822) is 7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is C=C(CCCCCc1ccc2c(n1)NCCC2)CC(F)F.
What is the InChIKey of 7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is MEWKUXHUYUERKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-13(12-16(18)19)6-3-2-4-8-15-10-9-14-7-5-11-20-17(14)21-15/h9-10,16H,1-8,11-12H2,(H,20,21).
What are the key properties of 7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 294.39 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 139473822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).