2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide

C20H38F3NO4 — CID 129281215

IUPAC2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
SMILESCCCCCCCCCCCCCCC(O)[C@@H](O)[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C20H38F3NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(26)18(27)16(15-25)24-19(28)20(21,22)23/h16-18,25-27H,2-15H2,1H3,(H,24,28)/t16-,17?,18-/m0/s1
InChIKeyVANMKFVZBLAYPM-RGBJRUIASA-N
MW413.52 g/mol
LogP3.84
Rot. Bonds17

About 2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide

2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide (PubChem CID 129281215) has the molecular formula C20H38F3NO4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
PubChem CID129281215
Molecular FormulaC20H38F3NO4
Molecular Weight413.52 g/mol
Exact Mass413.28
IUPAC Name2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
SMILESCCCCCCCCCCCCCCC(O)[C@@H](O)[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C20H38F3NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(26)18(27)16(15-25)24-19(28)20(21,22)23/h16-18,25-27H,2-15H2,1H3,(H,24,28)/t16-,17?,18-/m0/s1
InChIKeyVANMKFVZBLAYPM-RGBJRUIASA-N
XLogP3.84
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
CID 171461966
N-(1,3,4-trihydroxyoctacosan-2-yl)pentadecanamide
CID 138204379
N-[(2S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide
CID 171405913
N-(1,3,4-trihydroxyheptacosan-2-yl)pentadecanamide
CID 138178786
N-[(2S,3S,4S)-1,3,4-trihydroxyoctadecan-2-yl]hexadecanamide
CID 10626601
2-hydroxy-N-[(3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadecanamide
CID 102517280
N-(1,3,4-trihydroxytriacontan-2-yl)pentacosanamide
CID 138234481
N-(1,3,4-trihydroxypentadecan-2-yl)henicosanamide
CID 138278154
N-(1,3,4-trihydroxytricosan-2-yl)henicosanamide
CID 138160564
N-(1,3,4-trihydroxytetracosan-2-yl)triacontanamide
CID 138140757
N-(1,3,4-trihydroxypentacosan-2-yl)tetracosanamide
CID 138192562
N-(1,3,4-trihydroxyhexadecan-2-yl)tritriacontanamide
CID 138120937

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide (CID 129281215) is 2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide is CCCCCCCCCCCCCCC(O)[C@@H](O)[C@H](CO)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide?
The InChIKey is VANMKFVZBLAYPM-RGBJRUIASA-N. The full InChI is InChI=1S/C20H38F3NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(26)18(27)16(15-25)24-19(28)20(21,22)23/h16-18,25-27H,2-15H2,1H3,(H,24,28)/t16-,17?,18-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.84, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide is sourced from PubChem (CID 129281215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).