5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole

C7H9F2N — CID 157205584

IUPAC5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole
SMILESCC1=CCN=C1CC(F)F
InChIInChI=1S/C7H9F2N/c1-5-2-3-10-6(5)4-7(8)9/h2,7H,3-4H2,1H3
InChIKeyFNNLTQWJXGUNND-UHFFFAOYSA-N
MW145.15 g/mol
LogP2.04
Rot. Bonds2

About 5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole

5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole (PubChem CID 157205584) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole
PubChem CID157205584
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole
SMILESCC1=CCN=C1CC(F)F
InChIInChI=1S/C7H9F2N/c1-5-2-3-10-6(5)4-7(8)9/h2,7H,3-4H2,1H3
InChIKeyFNNLTQWJXGUNND-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole?
The IUPAC name of 5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole (CID 157205584) is 5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole.
What is the SMILES notation for 5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole?
The canonical SMILES for 5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole is CC1=CCN=C1CC(F)F.
What is the InChIKey of 5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole?
The InChIKey is FNNLTQWJXGUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-5-2-3-10-6(5)4-7(8)9/h2,7H,3-4H2,1H3.
What are the key properties of 5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole?
5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole has a molecular weight of 145.15 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole is sourced from PubChem (CID 157205584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).