(4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate

C10H11F2NO2 — CID 69182592

IUPAC(4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate
SMILESCC(CCOC(=O)c1ccc[nH]1)=C(F)F
InChIInChI=1S/C10H11F2NO2/c1-7(9(11)12)4-6-15-10(14)8-3-2-5-13-8/h2-3,5,13H,4,6H2,1H3
InChIKeyGGYIVEQULWPYIW-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.73
Rot. Bonds4

About (4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate

(4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate (PubChem CID 69182592) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is (4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name(4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate
PubChem CID69182592
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate
SMILESCC(CCOC(=O)c1ccc[nH]1)=C(F)F
InChIInChI=1S/C10H11F2NO2/c1-7(9(11)12)4-6-15-10(14)8-3-2-5-13-8/h2-3,5,13H,4,6H2,1H3
InChIKeyGGYIVEQULWPYIW-UHFFFAOYSA-N
XLogP2.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluoro-3-methylbut-3-enyl) 1-(cyanomethyl)pyrrole-2-carboxylate
CID 69182569
(4,4-difluoro-3-methylbut-3-enyl) 1-benzothiophene-2-carboxylate
CID 69182537
(2,3,4,5,6-pentafluorophenyl)methyl 1H-pyrrole-2-carboxylate
CID 8549709
(4,4-difluoro-3-methylbut-3-enyl) 1-(cyclopropylmethyl)pyrrole-2-carboxylate
CID 69178989
2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate
CID 8543795
(3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate
CID 165176051
(4-chlorophenyl)methyl 1H-pyrrole-2-carboxylate
CID 8543754
ethyl (E)-2,4,4,4-tetrafluoro-3-(1H-pyrrol-2-yl)but-2-enoate
CID 125476498
[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544093
2-methylbut-3-en-2-yl 1H-pyrrole-2-carboxylate
CID 71438284
(4-fluorophenyl) 1H-pyrrole-2-carboxylate
CID 137320425
[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8543923

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate?
The IUPAC name of (4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate (CID 69182592) is (4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate.
What is the SMILES notation for (4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate?
The canonical SMILES for (4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate is CC(CCOC(=O)c1ccc[nH]1)=C(F)F.
What is the InChIKey of (4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate?
The InChIKey is GGYIVEQULWPYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-7(9(11)12)4-6-15-10(14)8-3-2-5-13-8/h2-3,5,13H,4,6H2,1H3.
What are the key properties of (4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate?
(4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate has a molecular weight of 215.20 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-methylbut-3-enyl) 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 69182592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).