N-[(E)-1-fluorobut-2-en-2-yl]formamide

C5H8FNO — CID 143269554

IUPACN-[(E)-1-fluorobut-2-en-2-yl]formamide
SMILESC/C=C(\CF)NC=O
InChIInChI=1S/C5H8FNO/c1-2-5(3-6)7-4-8/h2,4H,3H2,1H3,(H,7,8)/b5-2+
InChIKeyLMMHTMLATVXXHB-GORDUTHDSA-N
MW117.12 g/mol
LogP0.61
Rot. Bonds3

About N-[(E)-1-fluorobut-2-en-2-yl]formamide

N-[(E)-1-fluorobut-2-en-2-yl]formamide (PubChem CID 143269554) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is N-[(E)-1-fluorobut-2-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(E)-1-fluorobut-2-en-2-yl]formamide
PubChem CID143269554
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC NameN-[(E)-1-fluorobut-2-en-2-yl]formamide
SMILESC/C=C(\CF)NC=O
InChIInChI=1S/C5H8FNO/c1-2-5(3-6)7-4-8/h2,4H,3H2,1H3,(H,7,8)/b5-2+
InChIKeyLMMHTMLATVXXHB-GORDUTHDSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-hept-3-en-4-yl]formamide
CID 55300804
N-(1,1-difluoroprop-1-en-2-yl)formamide
CID 174767420
N-[(Z)-1-cyanoprop-1-enyl]formamide
CID 21160166
N-(dimethylcarbamoyl)formamide
CID 21483017
N-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]formamide
CID 136593314
2-(fluoromethyl)but-2-enoic acid
CID 57012215
N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide
CID 143106868
N-(N'-ethylcarbamimidoyl)formamide
CID 71416538
N-formyloctadecanamide
CID 54418147
N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide
CID 142187150
N-(1-fluoro-2-methylpropan-2-yl)formamide
CID 14806739
acetaldehyde;methanol
CID 19366238

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-fluorobut-2-en-2-yl]formamide?
The IUPAC name of N-[(E)-1-fluorobut-2-en-2-yl]formamide (CID 143269554) is N-[(E)-1-fluorobut-2-en-2-yl]formamide.
What is the SMILES notation for N-[(E)-1-fluorobut-2-en-2-yl]formamide?
The canonical SMILES for N-[(E)-1-fluorobut-2-en-2-yl]formamide is C/C=C(\CF)NC=O.
What is the InChIKey of N-[(E)-1-fluorobut-2-en-2-yl]formamide?
The InChIKey is LMMHTMLATVXXHB-GORDUTHDSA-N. The full InChI is InChI=1S/C5H8FNO/c1-2-5(3-6)7-4-8/h2,4H,3H2,1H3,(H,7,8)/b5-2+.
What are the key properties of N-[(E)-1-fluorobut-2-en-2-yl]formamide?
N-[(E)-1-fluorobut-2-en-2-yl]formamide has a molecular weight of 117.12 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-fluorobut-2-en-2-yl]formamide is sourced from PubChem (CID 143269554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).