N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide

C33H51F16NO — CID 4686943

IUPACN,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)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
InChIInChI=1S/C33H51F16NO/c1-3-5-7-9-11-13-15-17-19-21-23-50(24-22-20-18-16-14-12-10-8-6-4-2)26(51)28(38,39)30(42,43)32(46,47)33(48,49)31(44,45)29(40,41)27(36,37)25(34)35/h25H,3-24H2,1-2H3
InChIKeyBHTSTKXVLYIELS-UHFFFAOYSA-N
MW781.74 g/mol
LogP13.37
Rot. Bonds30

About N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide

N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide (PubChem CID 4686943) has the molecular formula C33H51F16NO and a molecular weight of 781.74 g/mol. Its IUPAC name is N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide.

Molecular Properties

Compound NameN,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
PubChem CID4686943
Molecular FormulaC33H51F16NO
Molecular Weight781.74 g/mol
Exact Mass781.37
IUPAC NameN,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)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
InChIInChI=1S/C33H51F16NO/c1-3-5-7-9-11-13-15-17-19-21-23-50(24-22-20-18-16-14-12-10-8-6-4-2)26(51)28(38,39)30(42,43)32(46,47)33(48,49)31(44,45)29(40,41)27(36,37)25(34)35/h25H,3-24H2,1-2H3
InChIKeyBHTSTKXVLYIELS-UHFFFAOYSA-N
XLogP13.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.74
LogP ≤ 513.37
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'}

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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-dihexylnonanamide
CID 2748490
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-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
CID 5199727
2-(didodecylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride
CID 164590098
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl heptanoate
CID 19776006
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl octanoate
CID 19775989
2-amino-N,N-dihexyl-2-methylpropanamide
CID 61265821
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 2-heptylundecanoate
CID 139714182
didodecylcarbamothioic S-acid
CID 87178989
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorodecanoic acid
CID 23136187

Frequently Asked Questions

What is the IUPAC name of N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The IUPAC name of N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide (CID 4686943) is N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide.
What is the SMILES notation for N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The canonical SMILES for N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide is CCCCCCCCCCCCN(CCCCCCCCCCCC)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.
What is the InChIKey of N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The InChIKey is BHTSTKXVLYIELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51F16NO/c1-3-5-7-9-11-13-15-17-19-21-23-50(24-22-20-18-16-14-12-10-8-6-4-2)26(51)28(38,39)30(42,43)32(46,47)33(48,49)31(44,45)29(40,41)27(36,37)25(34)35/h25H,3-24H2,1-2H3.
What are the key properties of N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide has a molecular weight of 781.74 g/mol, XLogP of 13.37, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide is sourced from PubChem (CID 4686943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).