1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione

C19H12F7NO2 — CID 15194752

IUPAC1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione
SMILESCN(C)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H12F7NO2/c1-27(2)12-8-7-11(17(20,21)18(22,23)19(24,25)26)13-14(12)16(29)10-6-4-3-5-9(10)15(13)28/h3-8H,1-2H3
InChIKeyNONCASXGNJKXCT-UHFFFAOYSA-N
MW419.30 g/mol
LogP4.82
Rot. Bonds3

About 1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione

1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione (PubChem CID 15194752) has the molecular formula C19H12F7NO2 and a molecular weight of 419.30 g/mol. Its IUPAC name is 1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione
PubChem CID15194752
Molecular FormulaC19H12F7NO2
Molecular Weight419.30 g/mol
Exact Mass419.08
IUPAC Name1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione
SMILESCN(C)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H12F7NO2/c1-27(2)12-8-7-11(17(20,21)18(22,23)19(24,25)26)13-14(12)16(29)10-6-4-3-5-9(10)15(13)28/h3-8H,1-2H3
InChIKeyNONCASXGNJKXCT-UHFFFAOYSA-N
XLogP4.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione
CID 139617666
1-chloro-4-(dimethylamino)anthracene-9,10-dione
CID 14225856
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-(methylamino)anthracene-9,10-dione
CID 15194746
1-(dimethylamino)-4-methoxyanthracene-9,10-dione
CID 12750463
1,4-bis(N-methylanilino)anthracene-9,10-dione
CID 101406322
1,5-dibromo-4-(dimethylamino)anthracene-9,10-dione
CID 70563068
N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline
CID 118813099
N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide
CID 88688399
10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane
CID 142921768
3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline
CID 134615440
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)naphthalene-1,4-dione
CID 11710560
1,2-bis(N-phenylanilino)anthracene-9,10-dione
CID 69031965

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione?
The IUPAC name of 1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione (CID 15194752) is 1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione.
What is the SMILES notation for 1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione?
The canonical SMILES for 1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione is CN(C)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione?
The InChIKey is NONCASXGNJKXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F7NO2/c1-27(2)12-8-7-11(17(20,21)18(22,23)19(24,25)26)13-14(12)16(29)10-6-4-3-5-9(10)15(13)28/h3-8H,1-2H3.
What are the key properties of 1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione?
1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione has a molecular weight of 419.30 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione is sourced from PubChem (CID 15194752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).