N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide

C9H16FNO — CID 170121354

IUPACN-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide
SMILESC=C(C)C(F)(CC)CNC(C)=O
InChIInChI=1S/C9H16FNO/c1-5-9(10,7(2)3)6-11-8(4)12/h2,5-6H2,1,3-4H3,(H,11,12)
InChIKeyBPHUGWOXMZWUHS-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.82
Rot. Bonds4

About N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide

N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide (PubChem CID 170121354) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide
PubChem CID170121354
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide
SMILESC=C(C)C(F)(CC)CNC(C)=O
InChIInChI=1S/C9H16FNO/c1-5-9(10,7(2)3)6-11-8(4)12/h2,5-6H2,1,3-4H3,(H,11,12)
InChIKeyBPHUGWOXMZWUHS-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide?
The IUPAC name of N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide (CID 170121354) is N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide.
What is the SMILES notation for N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide?
The canonical SMILES for N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide is C=C(C)C(F)(CC)CNC(C)=O.
What is the InChIKey of N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide?
The InChIKey is BPHUGWOXMZWUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-5-9(10,7(2)3)6-11-8(4)12/h2,5-6H2,1,3-4H3,(H,11,12).
What are the key properties of N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide?
N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide has a molecular weight of 173.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-fluoro-3-methylbut-3-enyl)acetamide is sourced from PubChem (CID 170121354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).