2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide

C20H38F3NO2 — CID 90333790

IUPAC2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide
SMILESCCCCCCCCCCCCCCCCC(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C20H38F3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(17-25)24-19(26)20(21,22)23/h18,25H,2-17H2,1H3,(H,24,26)
InChIKeyWDARPEHKSULXSS-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.90
Rot. Bonds17

About 2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide

2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide (PubChem CID 90333790) has the molecular formula C20H38F3NO2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide
PubChem CID90333790
Molecular FormulaC20H38F3NO2
Molecular Weight381.52 g/mol
Exact Mass381.29
IUPAC Name2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide
SMILESCCCCCCCCCCCCCCCCC(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C20H38F3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(17-25)24-19(26)20(21,22)23/h18,25H,2-17H2,1H3,(H,24,26)
InChIKeyWDARPEHKSULXSS-UHFFFAOYSA-N
XLogP5.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(2S,3S)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
CID 129281215
tert-butyl N-[(2R)-1-hydroxyoctadecan-2-yl]carbamate
CID 101217988
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxotetratetracontanamide
CID 57043708
N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide
CID 54249823
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxohexatetracontanamide
CID 57005666
N-(1-hydroxyicosan-2-yl)-12-oxopentacosanamide
CID 54427121
methyl 2-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 90995953
(3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide
CID 88590856
N-(1,4-dihydroxypentan-2-yl)-2,2,2-trifluoroacetamide
CID 123267888
2-(methylamino)hexadecan-1-ol
CID 118696061
2-(ethylamino)nonan-1-ol
CID 61050713
N-(1-hydroxyoctadecan-2-yl)octadec-9-enamide
CID 91503776

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide (CID 90333790) is 2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide is CCCCCCCCCCCCCCCCC(CO)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide?
The InChIKey is WDARPEHKSULXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38F3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(17-25)24-19(26)20(21,22)23/h18,25H,2-17H2,1H3,(H,24,26).
What are the key properties of 2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide?
2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 5.90, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-hydroxyoctadecan-2-yl)acetamide is sourced from PubChem (CID 90333790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).