9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide

C15H5ClF17NO — CID 4178133

IUPAC9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide
SMILESO=C(Nc1cccc(F)c1)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/C15H5ClF17NO/c16-15(32,33)14(30,31)13(28,29)12(26,27)11(24,25)10(22,23)9(20,21)8(18,19)7(35)34-6-3-1-2-5(17)4-6/h1-4H,(H,34,35)
InChIKeyRGSZGUDXMCBFNY-UHFFFAOYSA-N
MW573.63 g/mol
LogP7.04
Rot. Bonds9

About 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide

9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide (PubChem CID 4178133) has the molecular formula C15H5ClF17NO and a molecular weight of 573.63 g/mol. Its IUPAC name is 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide.

Molecular Properties

Compound Name9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide
PubChem CID4178133
Molecular FormulaC15H5ClF17NO
Molecular Weight573.63 g/mol
Exact Mass572.98
IUPAC Name9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide
SMILESO=C(Nc1cccc(F)c1)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/C15H5ClF17NO/c16-15(32,33)14(30,31)13(28,29)12(26,27)11(24,25)10(22,23)9(20,21)8(18,19)7(35)34-6-3-1-2-5(17)4-6/h1-4H,(H,34,35)
InChIKeyRGSZGUDXMCBFNY-UHFFFAOYSA-N
XLogP7.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.63
LogP ≤ 57.04
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

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CID 4621112
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CID 4107079
N-(1,3-benzodioxol-5-yl)-8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide
CID 4639450
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,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 3369312
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
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CID 4172851
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methoxyphenyl)nonanamide
CID 3510887
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CID 108522116
2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide
CID 532100
3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)-N-hydroxybenzeneamine oxide
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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide?
The IUPAC name of 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) is 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide.
What is the SMILES notation for 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide?
The canonical SMILES for 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide is O=C(Nc1cccc(F)c1)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 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide?
The InChIKey is RGSZGUDXMCBFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5ClF17NO/c16-15(32,33)14(30,31)13(28,29)12(26,27)11(24,25)10(22,23)9(20,21)8(18,19)7(35)34-6-3-1-2-5(17)4-6/h1-4H,(H,34,35).
What are the key properties of 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide?
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide has a molecular weight of 573.63 g/mol, XLogP of 7.04, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide is sourced from PubChem (CID 4178133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).