2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide

C20H38F3NO — CID 91752756

IUPAC2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide
SMILESCCCCCCCCCCC(C)(CCCCCC)NC(=O)C(F)(F)F
InChIInChI=1S/C20H38F3NO/c1-4-6-8-10-11-12-13-15-17-19(3,16-14-9-7-5-2)24-18(25)20(21,22)23/h4-17H2,1-3H3,(H,24,25)
InChIKeyRSUQPQOQCUIJKF-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.92
Rot. Bonds15

About 2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide

2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide (PubChem CID 91752756) has the molecular formula C20H38F3NO and a molecular weight of 365.52 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide
PubChem CID91752756
Molecular FormulaC20H38F3NO
Molecular Weight365.52 g/mol
Exact Mass365.29
IUPAC Name2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide
SMILESCCCCCCCCCCC(C)(CCCCCC)NC(=O)C(F)(F)F
InChIInChI=1S/C20H38F3NO/c1-4-6-8-10-11-12-13-15-17-19(3,16-14-9-7-5-2)24-18(25)20(21,22)23/h4-17H2,1-3H3,(H,24,25)
InChIKeyRSUQPQOQCUIJKF-UHFFFAOYSA-N
XLogP6.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dimethyltridecyl)-2,2,2-trifluoroacetamide
CID 150813708
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2-methyloctan-2-yl 2,2,2-trifluoroacetate
CID 131843846
2-methylnonan-2-ol;2,2,2-trifluoroacetic acid
CID 87138698
amino (2S)-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 87372204
[(2R)-1-hydroxy-2-methylheptan-2-yl]carbamic acid
CID 122585214
(1-hydroxy-2-methylheptan-2-yl)carbamic acid
CID 122585217
tert-butyl N-(4-methylnonan-4-yl)carbamate
CID 130223651
2-fluoro-2-methylhexadecan-1-ol
CID 139634379
N-(5-methyldodecan-5-yl)benzamide
CID 130355979

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide (CID 91752756) is 2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide is CCCCCCCCCCC(C)(CCCCCC)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide?
The InChIKey is RSUQPQOQCUIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38F3NO/c1-4-6-8-10-11-12-13-15-17-19(3,16-14-9-7-5-2)24-18(25)20(21,22)23/h4-17H2,1-3H3,(H,24,25).
What are the key properties of 2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide?
2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide has a molecular weight of 365.52 g/mol, XLogP of 6.92, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide is sourced from PubChem (CID 91752756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).