N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide

C9H16FNO — CID 178010842

IUPACN-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide
SMILESC/C=C/CNC(=O)C(C)(C)CF
InChIInChI=1S/C9H16FNO/c1-4-5-6-11-8(12)9(2,3)7-10/h4-5H,6-7H2,1-3H3,(H,11,12)/b5-4+
InChIKeyKTJQPGLMULGNAW-SNAWJCMRSA-N
MW173.23 g/mol
LogP1.67
Rot. Bonds4

About N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide

N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide (PubChem CID 178010842) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide
PubChem CID178010842
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide
SMILESC/C=C/CNC(=O)C(C)(C)CF
InChIInChI=1S/C9H16FNO/c1-4-5-6-11-8(12)9(2,3)7-10/h4-5H,6-7H2,1-3H3,(H,11,12)/b5-4+
InChIKeyKTJQPGLMULGNAW-SNAWJCMRSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide?
The IUPAC name of N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide (CID 178010842) is N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide is C/C=C/CNC(=O)C(C)(C)CF.
What is the InChIKey of N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide?
The InChIKey is KTJQPGLMULGNAW-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16FNO/c1-4-5-6-11-8(12)9(2,3)7-10/h4-5H,6-7H2,1-3H3,(H,11,12)/b5-4+.
What are the key properties of N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide?
N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide has a molecular weight of 173.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 178010842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).