3,3-difluoro-2-methylpyrrole

C5H5F2N — CID 175326079

IUPAC3,3-difluoro-2-methylpyrrole
SMILESCC1=NC=CC1(F)F
InChIInChI=1S/C5H5F2N/c1-4-5(6,7)2-3-8-4/h2-3H,1H3
InChIKeyFYLBFHGVGKCZNZ-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.61
Rot. Bonds

About 3,3-difluoro-2-methylpyrrole

3,3-difluoro-2-methylpyrrole (PubChem CID 175326079) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 3,3-difluoro-2-methylpyrrole.

Molecular Properties

Compound Name3,3-difluoro-2-methylpyrrole
PubChem CID175326079
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name3,3-difluoro-2-methylpyrrole
SMILESCC1=NC=CC1(F)F
InChIInChI=1S/C5H5F2N/c1-4-5(6,7)2-3-8-4/h2-3H,1H3
InChIKeyFYLBFHGVGKCZNZ-UHFFFAOYSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methylpyrrole?
The IUPAC name of 3,3-difluoro-2-methylpyrrole (CID 175326079) is 3,3-difluoro-2-methylpyrrole.
What is the SMILES notation for 3,3-difluoro-2-methylpyrrole?
The canonical SMILES for 3,3-difluoro-2-methylpyrrole is CC1=NC=CC1(F)F.
What is the InChIKey of 3,3-difluoro-2-methylpyrrole?
The InChIKey is FYLBFHGVGKCZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N/c1-4-5(6,7)2-3-8-4/h2-3H,1H3.
What are the key properties of 3,3-difluoro-2-methylpyrrole?
3,3-difluoro-2-methylpyrrole has a molecular weight of 117.10 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylpyrrole is sourced from PubChem (CID 175326079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).