8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide

C15H8ClF14NO2 — CID 4621112

IUPAC8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide
SMILESCOc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)c1
InChIInChI=1S/C15H8ClF14NO2/c1-33-7-4-2-3-6(5-7)31-8(32)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(16,29)30/h2-5H,1H3,(H,31,32)
InChIKeyOCRNAILWIRZTPP-UHFFFAOYSA-N
MW535.66 g/mol
LogP6.28
Rot. Bonds9

About 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide

8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide (PubChem CID 4621112) has the molecular formula C15H8ClF14NO2 and a molecular weight of 535.66 g/mol. Its IUPAC name is 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide.

Molecular Properties

Compound Name8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide
PubChem CID4621112
Molecular FormulaC15H8ClF14NO2
Molecular Weight535.66 g/mol
Exact Mass535.00
IUPAC Name8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide
SMILESCOc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)c1
InChIInChI=1S/C15H8ClF14NO2/c1-33-7-4-2-3-6(5-7)31-8(32)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(16,29)30/h2-5H,1H3,(H,31,32)
InChIKeyOCRNAILWIRZTPP-UHFFFAOYSA-N
XLogP6.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.66
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methoxyphenyl)nonanamide
CID 3510887
2,2,3,3,4,4,5,5-octafluoro-N-(3-methoxyphenyl)pentanamide
CID 4521751
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide
CID 4178133
2,2-difluoro-2-(4-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 48571112
N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide
CID 91220248
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-methoxyphenyl)nonanamide
CID 5048807
N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969376
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
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
CID 79809500
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
methane;N-(3-methoxyphenyl)acetamide
CID 161026095

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide?
The IUPAC name of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide (CID 4621112) is 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide.
What is the SMILES notation for 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide?
The canonical SMILES for 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide is COc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)c1.
What is the InChIKey of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide?
The InChIKey is OCRNAILWIRZTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF14NO2/c1-33-7-4-2-3-6(5-7)31-8(32)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(16,29)30/h2-5H,1H3,(H,31,32).
What are the key properties of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide?
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide has a molecular weight of 535.66 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(3-methoxyphenyl)octanamide is sourced from PubChem (CID 4621112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).