N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

C19H24F13NO — CID 19177836

IUPACN-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESO=C(NC1CCCCCCCCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H24F13NO/c20-14(21,13(34)33-12-10-8-6-4-2-1-3-5-7-9-11-12)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h12H,1-11H2,(H,33,34)
InChIKeyGHUVLWFCWLXPTQ-UHFFFAOYSA-N
MW529.38 g/mol
LogP7.51
Rot. Bonds6

About N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (PubChem CID 19177836) has the molecular formula C19H24F13NO and a molecular weight of 529.38 g/mol. Its IUPAC name is N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.

Molecular Properties

Compound NameN-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
PubChem CID19177836
Molecular FormulaC19H24F13NO
Molecular Weight529.38 g/mol
Exact Mass529.17
IUPAC NameN-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESO=C(NC1CCCCCCCCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H24F13NO/c20-14(21,13(34)33-12-10-8-6-4-2-1-3-5-7-9-11-12)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h12H,1-11H2,(H,33,34)
InChIKeyGHUVLWFCWLXPTQ-UHFFFAOYSA-N
XLogP7.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.38
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 573411
N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 4201164
N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide
CID 3360034
2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
CID 3089857
4-chloro-N-cyclooctyl-2,2,3,3,4,4-hexafluorobutanamide
CID 4125332
N-cyclopropyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
CID 3089677
2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide
CID 40538968
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N'-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)nonanehydrazide
CID 3089752
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
1-cyclododecyl-3-(trifluoromethyl)urea
CID 108865906
2-chloro-N-cyclohexyl-2-methylpropanamide
CID 70600650
1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 17387309

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The IUPAC name of N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (CID 19177836) is N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.
What is the SMILES notation for N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The canonical SMILES for N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is O=C(NC1CCCCCCCCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The InChIKey is GHUVLWFCWLXPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F13NO/c20-14(21,13(34)33-12-10-8-6-4-2-1-3-5-7-9-11-12)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h12H,1-11H2,(H,33,34).
What are the key properties of N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide has a molecular weight of 529.38 g/mol, XLogP of 7.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is sourced from PubChem (CID 19177836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).