2-ethenyl-3-fluoro-1H-pyrrole

C6H6FN — CID 155724901

IUPAC2-ethenyl-3-fluoro-1H-pyrrole
SMILESC=Cc1[nH]ccc1F
InChIInChI=1S/C6H6FN/c1-2-6-5(7)3-4-8-6/h2-4,8H,1H2
InChIKeyGXXHFZVRJBWOEF-UHFFFAOYSA-N
MW111.12 g/mol
LogP1.80
Rot. Bonds1

About 2-ethenyl-3-fluoro-1H-pyrrole

2-ethenyl-3-fluoro-1H-pyrrole (PubChem CID 155724901) has the molecular formula C6H6FN and a molecular weight of 111.12 g/mol. Its IUPAC name is 2-ethenyl-3-fluoro-1H-pyrrole.

Molecular Properties

Compound Name2-ethenyl-3-fluoro-1H-pyrrole
PubChem CID155724901
Molecular FormulaC6H6FN
Molecular Weight111.12 g/mol
Exact Mass111.05
IUPAC Name2-ethenyl-3-fluoro-1H-pyrrole
SMILESC=Cc1[nH]ccc1F
InChIInChI=1S/C6H6FN/c1-2-6-5(7)3-4-8-6/h2-4,8H,1H2
InChIKeyGXXHFZVRJBWOEF-UHFFFAOYSA-N
XLogP1.80
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethenyl-3-ethyl-1H-pyrrole
CID 144842515
(2-ethenyl-1H-pyrrol-3-yl)methanimine
CID 142384190
3-fluoro-2-(trifluoromethyl)-1H-pyrrole
CID 175283071
2-ethenyl-3-[(3Z)-2-methylhexa-3,5-dien-3-yl]-1H-pyrrole
CID 154929979
2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane
CID 123665873
2-[(1Z)-buta-1,3-dienyl]-3-methyl-1H-pyrrole
CID 89218252
1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one
CID 89177795
ethane;1-ethenyl-4-fluorobenzene
CID 143529924
N-(3-ethenyl-1H-pyrrol-2-yl)methanimine
CID 142590840
ethane;3-ethenyl-1H-pyrrol-2-amine
CID 178089046
2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde
CID 130781613
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one
CID 143270524

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-fluoro-1H-pyrrole?
The IUPAC name of 2-ethenyl-3-fluoro-1H-pyrrole (CID 155724901) is 2-ethenyl-3-fluoro-1H-pyrrole.
What is the SMILES notation for 2-ethenyl-3-fluoro-1H-pyrrole?
The canonical SMILES for 2-ethenyl-3-fluoro-1H-pyrrole is C=Cc1[nH]ccc1F.
What is the InChIKey of 2-ethenyl-3-fluoro-1H-pyrrole?
The InChIKey is GXXHFZVRJBWOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN/c1-2-6-5(7)3-4-8-6/h2-4,8H,1H2.
What are the key properties of 2-ethenyl-3-fluoro-1H-pyrrole?
2-ethenyl-3-fluoro-1H-pyrrole has a molecular weight of 111.12 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-fluoro-1H-pyrrole is sourced from PubChem (CID 155724901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).