N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide

C11H16FNO — CID 123529240

IUPACN-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide
SMILESC=CC=C(NC(=O)C(C)(C)C)C(=C)F
InChIInChI=1S/C11H16FNO/c1-6-7-9(8(2)12)13-10(14)11(3,4)5/h6-7H,1-2H2,3-5H3,(H,13,14)
InChIKeyUXQRZUYZZPAJDX-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.70
Rot. Bonds3

About N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide

N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide (PubChem CID 123529240) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide
PubChem CID123529240
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC NameN-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide
SMILESC=CC=C(NC(=O)C(C)(C)C)C(=C)F
InChIInChI=1S/C11H16FNO/c1-6-7-9(8(2)12)13-10(14)11(3,4)5/h6-7H,1-2H2,3-5H3,(H,13,14)
InChIKeyUXQRZUYZZPAJDX-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide (CID 123529240) is N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide is C=CC=C(NC(=O)C(C)(C)C)C(=C)F.
What is the InChIKey of N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide?
The InChIKey is UXQRZUYZZPAJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-6-7-9(8(2)12)13-10(14)11(3,4)5/h6-7H,1-2H2,3-5H3,(H,13,14).
What are the key properties of N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide?
N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide has a molecular weight of 197.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 123529240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).