N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide

C17H30F3NO — CID 162409361

IUPACN-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide
SMILESC=C(CCCCCC)CC(C)(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C17H30F3NO/c1-5-6-7-8-10-14(2)13-16(3,4)11-9-12-21-15(22)17(18,19)20/h2,5-13H2,1,3-4H3,(H,21,22)
InChIKeyWGMOPJWRLYGZCR-UHFFFAOYSA-N
MW321.43 g/mol
LogP5.39
Rot. Bonds11

About N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide

N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide (PubChem CID 162409361) has the molecular formula C17H30F3NO and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide
PubChem CID162409361
Molecular FormulaC17H30F3NO
Molecular Weight321.43 g/mol
Exact Mass321.23
IUPAC NameN-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide
SMILESC=C(CCCCCC)CC(C)(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C17H30F3NO/c1-5-6-7-8-10-14(2)13-16(3,4)11-9-12-21-15(22)17(18,19)20/h2,5-13H2,1,3-4H3,(H,21,22)
InChIKeyWGMOPJWRLYGZCR-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.43
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide (CID 162409361) is N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide is C=C(CCCCCC)CC(C)(C)CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide?
The InChIKey is WGMOPJWRLYGZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3NO/c1-5-6-7-8-10-14(2)13-16(3,4)11-9-12-21-15(22)17(18,19)20/h2,5-13H2,1,3-4H3,(H,21,22).
What are the key properties of N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide?
N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide has a molecular weight of 321.43 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-6-methylidenedodecyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162409361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).