N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide

C19H26F3NO — CID 162407665

IUPACN-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide
SMILESC=C(CCc1ccccc1)CC(C)(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C19H26F3NO/c1-15(10-11-16-8-5-4-6-9-16)14-18(2,3)12-7-13-23-17(24)19(20,21)22/h4-6,8-9H,1,7,10-14H2,2-3H3,(H,23,24)
InChIKeyXTZYVRWJYLFGPV-UHFFFAOYSA-N
MW341.42 g/mol
LogP5.05
Rot. Bonds9

About N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide

N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide (PubChem CID 162407665) has the molecular formula C19H26F3NO and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide
PubChem CID162407665
Molecular FormulaC19H26F3NO
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide
SMILESC=C(CCc1ccccc1)CC(C)(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C19H26F3NO/c1-15(10-11-16-8-5-4-6-9-16)14-18(2,3)12-7-13-23-17(24)19(20,21)22/h4-6,8-9H,1,7,10-14H2,2-3H3,(H,23,24)
InChIKeyXTZYVRWJYLFGPV-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.42
LogP ≤ 55.05
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-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide (CID 162407665) is N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide is C=C(CCc1ccccc1)CC(C)(C)CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide?
The InChIKey is XTZYVRWJYLFGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NO/c1-15(10-11-16-8-5-4-6-9-16)14-18(2,3)12-7-13-23-17(24)19(20,21)22/h4-6,8-9H,1,7,10-14H2,2-3H3,(H,23,24).
What are the key properties of N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide?
N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide has a molecular weight of 341.42 g/mol, XLogP of 5.05, 9 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-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162407665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).