2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide

C21H26F17NO — CID 2748490

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C21H26F17NO/c1-3-5-7-9-11-39(12-10-8-6-4-2)13(40)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h3-12H2,1-2H3
InChIKeyGZDPTOIICVNJKS-UHFFFAOYSA-N
MW631.41 g/mol
LogP8.98
Rot. Bonds17

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide (PubChem CID 2748490) has the molecular formula C21H26F17NO and a molecular weight of 631.41 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide
PubChem CID2748490
Molecular FormulaC21H26F17NO
Molecular Weight631.41 g/mol
Exact Mass631.17
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C21H26F17NO/c1-3-5-7-9-11-39(12-10-8-6-4-2)13(40)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h3-12H2,1-2H3
InChIKeyGZDPTOIICVNJKS-UHFFFAOYSA-N
XLogP8.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.41
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide with MolForge

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-di(nonyl)nonanamide
CID 3387075
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dioctylhexanamide
CID 3387387
N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4686943
2-(didodecylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride
CID 164590098
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide
CID 79796610
octyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 86127603
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid;undecanoic acid
CID 175195859
N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 4072472
2-amino-N,N-dihexyl-2-methylpropanamide
CID 61265821
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;octanoic acid
CID 87266081
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-pentylnonanamide
CID 4165117

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide (CID 2748490) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide is CCCCCCN(CCCCCC)C(=O)C(F)(F)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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide?
The InChIKey is GZDPTOIICVNJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F17NO/c1-3-5-7-9-11-39(12-10-8-6-4-2)13(40)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h3-12H2,1-2H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide has a molecular weight of 631.41 g/mol, XLogP of 8.98, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide is sourced from PubChem (CID 2748490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).