2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide

C17H7F15N2O — CID 15164362

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide
SMILESO=C(Nc1cccc2cccnc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H7F15N2O/c18-11(19,10(35)34-8-5-1-3-7-4-2-6-33-9(7)8)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h1-6H,(H,34,35)
InChIKeyKLBPYHQTYZNGRH-UHFFFAOYSA-N
MW540.23 g/mol
LogP6.55
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide (PubChem CID 15164362) has the molecular formula C17H7F15N2O and a molecular weight of 540.23 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide
PubChem CID15164362
Molecular FormulaC17H7F15N2O
Molecular Weight540.23 g/mol
Exact Mass540.03
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide
SMILESO=C(Nc1cccc2cccnc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H7F15N2O/c18-11(19,10(35)34-8-5-1-3-7-4-2-6-33-9(7)8)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h1-6H,(H,34,35)
InChIKeyKLBPYHQTYZNGRH-UHFFFAOYSA-N
XLogP6.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.23
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide with MolForge

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyphenyl)heptanamide
CID 4292897
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
CID 177454092
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-pyridin-4-yloctanamide
CID 15164357
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide (CID 15164362) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide is O=C(Nc1cccc2cccnc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide?
The InChIKey is KLBPYHQTYZNGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7F15N2O/c18-11(19,10(35)34-8-5-1-3-7-4-2-6-33-9(7)8)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h1-6H,(H,34,35).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide has a molecular weight of 540.23 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide is sourced from PubChem (CID 15164362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).