2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide

C8H12FNO — CID 130173054

IUPAC2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide
SMILESC#CCN(C)C(=O)C(C)(C)F
InChIInChI=1S/C8H12FNO/c1-5-6-10(4)7(11)8(2,3)9/h1H,6H2,2-4H3
InChIKeyFHEITKJQOIFWAC-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.83
Rot. Bonds2

About 2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide

2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide (PubChem CID 130173054) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide
PubChem CID130173054
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide
SMILESC#CCN(C)C(=O)C(C)(C)F
InChIInChI=1S/C8H12FNO/c1-5-6-10(4)7(11)8(2,3)9/h1H,6H2,2-4H3
InChIKeyFHEITKJQOIFWAC-UHFFFAOYSA-N
XLogP0.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Di(prop-2-yn-1-yl)acetamide
CID 299625
2-Hydroperfluoroisobutanoic acid-N,N-di(2-propynyl)amide
CID 615937
N,N-diethyl-2-fluoropropanamide
CID 57558374
3-fluoro-N,N-dipropylpropanamide
CID 87326310
N,N-diethyl-3-fluoropropanamide
CID 87329101
2-fluoro-N,2-dimethyl-N-propylpropanamide
CID 118148465
N-ethyl-2-fluoro-2-methyl-N-propylpropanamide
CID 123695302
N-ethyl-2-fluoro-N,2-dimethylpropanamide
CID 123901238
N,N-diethyl-2-fluoro-2-methylpropanamide
CID 130164994
1-(3-Fluoro-3-prop-1-ynylazetidin-1-yl)ethanone
CID 156149979
N-(2-fluoro-2-methylpropyl)-N-methylacetamide
CID 165166311
N-(2-fluoroethyl)-N,2-dimethylpropanamide
CID 172486216

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide?
The IUPAC name of 2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide (CID 130173054) is 2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide is C#CCN(C)C(=O)C(C)(C)F.
What is the InChIKey of 2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide?
The InChIKey is FHEITKJQOIFWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-5-6-10(4)7(11)8(2,3)9/h1H,6H2,2-4H3.
What are the key properties of 2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide?
2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide has a molecular weight of 157.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 130173054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).