N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide

C7H12FNO — CID 88558388

IUPACN-(2-fluoroethyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCF
InChIInChI=1S/C7H12FNO/c1-6(2)7(10)9(3)5-4-8/h1,4-5H2,2-3H3
InChIKeyUIWPRUMTFACHSW-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.99
Rot. Bonds3

About N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide

N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide (PubChem CID 88558388) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N,2-dimethylprop-2-enamide
PubChem CID88558388
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC NameN-(2-fluoroethyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCF
InChIInChI=1S/C7H12FNO/c1-6(2)7(10)9(3)5-4-8/h1,4-5H2,2-3H3
InChIKeyUIWPRUMTFACHSW-UHFFFAOYSA-N
XLogP0.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylmethacrylamide
CID 81465
N,N-Diethylmethacrylamide
CID 228225
N-Methyl-N-(2-methyl-1-oxoallyl)methacrylamide
CID 81838
N,N-Diallylmethacrylamide
CID 228228
N,N-DI-N-Butylmethacrylamide
CID 9990299
2-methyl-N,N-di(propan-2-yl)prop-2-enamide
CID 12947886
N,N-diethyl-2-(trifluoromethyl)prop-2-enamide
CID 134988475
1,4-dimethyl-2H-pyrrol-5-one
CID 12394646
1-(Aziridin-1-yl)-2-methylprop-2-en-1-one
CID 13685455
N,N-diethyl-2-fluoroprop-2-enamide
CID 15129199
4-Fluoro-1-(2-methylprop-2-enoyl)azetidin-2-one
CID 58165598
N-ethyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
CID 59464914

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide (CID 88558388) is N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)CCF.
What is the InChIKey of N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide?
The InChIKey is UIWPRUMTFACHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(2)7(10)9(3)5-4-8/h1,4-5H2,2-3H3.
What are the key properties of N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide?
N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide has a molecular weight of 145.18 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 88558388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).