N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide

C11H16F3NO — CID 101178703

IUPACN-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide
SMILESC=CC(C)(CC=C(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-5-10(4,7-6-8(2)3)15-9(16)11(12,13)14/h5-6H,1,7H2,2-4H3,(H,15,16)
InChIKeyPUMHUYJNYIDITO-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.97
Rot. Bonds4

About N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide

N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 101178703) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide
PubChem CID101178703
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide
SMILESC=CC(C)(CC=C(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-5-10(4,7-6-8(2)3)15-9(16)11(12,13)14/h5-6H,1,7H2,2-4H3,(H,15,16)
InChIKeyPUMHUYJNYIDITO-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,7-dimethylocta-1,6-dien-3-yl)-2,2,2-trifluoroacetamide
CID 10514749
(E)-N-tert-butyl-3-cyclopropyl-4,4,4-trifluorobut-2-enamide
CID 70848146
N-[1-(trifluoromethyl)cyclobut-2-en-1-yl]acetamide
CID 88276053
(Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 89027815
(E)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 89037517
2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide
CID 163696706
(3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide
CID 163950109
(E)-N-tert-butyl-2-(trifluoromethyl)hex-4-enamide
CID 11241866
N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide
CID 130014834
N-[(2Z,4E,6E)-5-ethyl-8,8-difluoroocta-2,4,6-trien-4-yl]propanamide
CID 176929371
N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide
CID 18767980
N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide
CID 89150927

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide (CID 101178703) is N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide is C=CC(C)(CC=C(C)C)NC(=O)C(F)(F)F.
What is the InChIKey of N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is PUMHUYJNYIDITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-5-10(4,7-6-8(2)3)15-9(16)11(12,13)14/h5-6H,1,7H2,2-4H3,(H,15,16).
What are the key properties of N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide?
N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 235.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethylhepta-1,5-dien-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 101178703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).