8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide

C9H4ClF14NO — CID 3450851

IUPAC8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C9H4ClF14NO/c1-25-2(26)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(10,23)24/h1H3,(H,25,26)
InChIKeyKADUCNYVQVKQPM-UHFFFAOYSA-N
MW443.56 g/mol
LogP4.38
Rot. Bonds7

About 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide

8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide (PubChem CID 3450851) has the molecular formula C9H4ClF14NO and a molecular weight of 443.56 g/mol. Its IUPAC name is 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide.

Molecular Properties

Compound Name8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide
PubChem CID3450851
Molecular FormulaC9H4ClF14NO
Molecular Weight443.56 g/mol
Exact Mass442.98
IUPAC Name8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C9H4ClF14NO/c1-25-2(26)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(10,23)24/h1H3,(H,25,26)
InChIKeyKADUCNYVQVKQPM-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 54.38
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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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-methyloctanamide?
The IUPAC name of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide (CID 3450851) is 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide.
What is the SMILES notation for 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide?
The canonical SMILES for 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide is CNC(=O)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 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide?
The InChIKey is KADUCNYVQVKQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF14NO/c1-25-2(26)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(10,23)24/h1H3,(H,25,26).
What are the key properties of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide?
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide has a molecular weight of 443.56 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 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-methyloctanamide is sourced from PubChem (CID 3450851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).