2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide

C13H8F12N2O — CID 3357198

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide
SMILESO=C(NCc1ccncc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H8F12N2O/c14-7(15)9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(28)27-5-6-1-3-26-4-2-6/h1-4,7H,5H2,(H,27,28)
InChIKeyVPDLVROBDPQRLI-UHFFFAOYSA-N
MW436.20 g/mol
LogP4.14
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide (PubChem CID 3357198) has the molecular formula C13H8F12N2O and a molecular weight of 436.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide
PubChem CID3357198
Molecular FormulaC13H8F12N2O
Molecular Weight436.20 g/mol
Exact Mass436.04
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide
SMILESO=C(NCc1ccncc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H8F12N2O/c14-7(15)9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(28)27-5-6-1-3-26-4-2-6/h1-4,7H,5H2,(H,27,28)
InChIKeyVPDLVROBDPQRLI-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.20
LogP ≤ 54.14
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-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide with MolForge

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Related Compounds

8-(benzylamino)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-oxooctanoic acid
CID 159927010
N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4525398
4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
CID 154583502
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
2,2-dimethyl-N-(pyridin-4-ylmethyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108963741
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-pyridin-4-yloctanamide
CID 15164357
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
1-fluoroethyl 2-oxo-2-(pyridin-4-ylmethylamino)acetate
CID 145065936
N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4159508
2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide
CID 103731962

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide (CID 3357198) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide is O=C(NCc1ccncc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide?
The InChIKey is VPDLVROBDPQRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F12N2O/c14-7(15)9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(28)27-5-6-1-3-26-4-2-6/h1-4,7H,5H2,(H,27,28).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide has a molecular weight of 436.20 g/mol, XLogP of 4.14, 8 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-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide is sourced from PubChem (CID 3357198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).