9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide

C15H20F3NO3 — CID 122391197

IUPAC9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide
SMILESO=C(CCCCCCC(O)(O)C(F)(F)F)Nc1ccccc1
InChIInChI=1S/C15H20F3NO3/c16-15(17,18)14(21,22)11-7-2-1-6-10-13(20)19-12-8-4-3-5-9-12/h3-5,8-9,21-22H,1-2,6-7,10-11H2,(H,19,20)
InChIKeyDOVGAPNVSPZBAT-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.21
Rot. Bonds8

About 9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide

9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide (PubChem CID 122391197) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide.

Molecular Properties

Compound Name9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide
PubChem CID122391197
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide
SMILESO=C(CCCCCCC(O)(O)C(F)(F)F)Nc1ccccc1
InChIInChI=1S/C15H20F3NO3/c16-15(17,18)14(21,22)11-7-2-1-6-10-13(20)19-12-8-4-3-5-9-12/h3-5,8-9,21-22H,1-2,6-7,10-11H2,(H,19,20)
InChIKeyDOVGAPNVSPZBAT-UHFFFAOYSA-N
XLogP3.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7,7-dimethyl-N-phenyloctanamide
CID 68837139
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
N-phenylpentacosanamide
CID 19025260
N-phenyl-10-sulfanyldecanamide
CID 89127946
N-phenyl-9-sulfanylnonanamide
CID 89127947
4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
7-bromo-N-phenylheptanamide
CID 11266084
N-phenylheptatetracontanamide
CID 150503307
8-oxo-N-phenyloctanamide
CID 15739209
6-formamido-N-phenylhexanamide
CID 156509815
N'-hydroxy-N-phenyloctanediamide;piperazine
CID 24824516

Frequently Asked Questions

What is the IUPAC name of 9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide?
The IUPAC name of 9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide (CID 122391197) is 9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide.
What is the SMILES notation for 9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide?
The canonical SMILES for 9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide is O=C(CCCCCCC(O)(O)C(F)(F)F)Nc1ccccc1.
What is the InChIKey of 9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide?
The InChIKey is DOVGAPNVSPZBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3/c16-15(17,18)14(21,22)11-7-2-1-6-10-13(20)19-12-8-4-3-5-9-12/h3-5,8-9,21-22H,1-2,6-7,10-11H2,(H,19,20).
What are the key properties of 9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide?
9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide has a molecular weight of 319.32 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,9-trifluoro-8,8-dihydroxy-N-phenylnonanamide is sourced from PubChem (CID 122391197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).