N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide

C13H10ClF16NO — CID 3532396

IUPACN-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SMILESCC(C)(C)NC(=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)Cl
InChIInChI=1S/C13H10ClF16NO/c1-5(2,3)31-4(32)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(14,29)30/h1-3H3,(H,31,32)
InChIKeyINQVIESXGZKNCM-UHFFFAOYSA-N
MW535.65 g/mol
LogP6.18
Rot. Bonds8

About N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide

N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide (PubChem CID 3532396) has the molecular formula C13H10ClF16NO and a molecular weight of 535.65 g/mol. Its IUPAC name is N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide.

Molecular Properties

Compound NameN-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
PubChem CID3532396
Molecular FormulaC13H10ClF16NO
Molecular Weight535.65 g/mol
Exact Mass535.02
IUPAC NameN-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SMILESCC(C)(C)NC(=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)Cl
InChIInChI=1S/C13H10ClF16NO/c1-5(2,3)31-4(32)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(14,29)30/h1-3H3,(H,31,32)
InChIKeyINQVIESXGZKNCM-UHFFFAOYSA-N
XLogP6.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide
CID 3450851
methyl 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
CID 2782477
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide
CID 3090460
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methylbutyl)octanamide
CID 5227176
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-undecylnonanamide
CID 3948802
9-chloro-N-(3,5-dimethylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4107079
9-chloro-N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3616620
11-chloro-N-decyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
CID 4106217
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-hexylnonanamide
CID 3090456
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide
CID 3532120
N-(4-acetylphenyl)-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3667444
N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 3406940

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The IUPAC name of N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide (CID 3532396) is N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide.
What is the SMILES notation for N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The canonical SMILES for N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide is CC(C)(C)NC(=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)Cl.
What is the InChIKey of N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
The InChIKey is INQVIESXGZKNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF16NO/c1-5(2,3)31-4(32)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(14,29)30/h1-3H3,(H,31,32).
What are the key properties of N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide?
N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide has a molecular weight of 535.65 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide is sourced from PubChem (CID 3532396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).