N-ethyl-2-fluoroprop-2-enamide

C5H8FNO — CID 138502811

IUPACN-ethyl-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NCC
InChIInChI=1S/C5H8FNO/c1-3-7-5(8)4(2)6/h2-3H2,1H3,(H,7,8)
InChIKeyHLZJDTXTTFBVPG-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.61
Rot. Bonds2

About N-ethyl-2-fluoroprop-2-enamide

N-ethyl-2-fluoroprop-2-enamide (PubChem CID 138502811) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is N-ethyl-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-fluoroprop-2-enamide
PubChem CID138502811
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC NameN-ethyl-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NCC
InChIInChI=1S/C5H8FNO/c1-3-7-5(8)4(2)6/h2-3H2,1H3,(H,7,8)
InChIKeyHLZJDTXTTFBVPG-UHFFFAOYSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(ethylcarbamoyl)-2-fluoroprop-2-enamide
CID 163798427
N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide
CID 155070864
N-ethyl-2-methylidenehexanamide
CID 140513535
N-ethyl-2,3,3-trihydroxyprop-2-enamide
CID 161274596
2-(ethylamino)-2-oxoacetic acid;hydrochloride
CID 87148402
1-ethyl-3-methylideneurea
CID 22063397
(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
(2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide
CID 144618741
2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide
CID 177013326
N-ethyl-N',N'-bis(hydroxyamino)oxamide
CID 174658040
N,N'-diethylpropanediamide
CID 4600245
1,3-diethylurea;ethane
CID 142885504

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoroprop-2-enamide?
The IUPAC name of N-ethyl-2-fluoroprop-2-enamide (CID 138502811) is N-ethyl-2-fluoroprop-2-enamide.
What is the SMILES notation for N-ethyl-2-fluoroprop-2-enamide?
The canonical SMILES for N-ethyl-2-fluoroprop-2-enamide is C=C(F)C(=O)NCC.
What is the InChIKey of N-ethyl-2-fluoroprop-2-enamide?
The InChIKey is HLZJDTXTTFBVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-3-7-5(8)4(2)6/h2-3H2,1H3,(H,7,8).
What are the key properties of N-ethyl-2-fluoroprop-2-enamide?
N-ethyl-2-fluoroprop-2-enamide has a molecular weight of 117.12 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoroprop-2-enamide is sourced from PubChem (CID 138502811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).