3-(difluoromethyl)-1H-pyrrole

C5H5F2N — CID 55286956

IUPAC3-(difluoromethyl)-1H-pyrrole
SMILESFC(F)c1cc[nH]c1
InChIInChI=1S/C5H5F2N/c6-5(7)4-1-2-8-3-4/h1-3,5,8H
InChIKeyVGSOHFZARXAKLJ-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.95
Rot. Bonds1

About 3-(difluoromethyl)-1H-pyrrole

3-(difluoromethyl)-1H-pyrrole (PubChem CID 55286956) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(difluoromethyl)-1H-pyrrole
PubChem CID55286956
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name3-(difluoromethyl)-1H-pyrrole
SMILESFC(F)c1cc[nH]c1
InChIInChI=1S/C5H5F2N/c6-5(7)4-1-2-8-3-4/h1-3,5,8H
InChIKeyVGSOHFZARXAKLJ-UHFFFAOYSA-N
XLogP1.95
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Pyrrole
CID 8027
1H-Pyrrole, 3-methyl-
CID 12023
3-ethyl-1H-pyrrole
CID 258383
1H-pyrrole-3-carbonitrile
CID 564206
3,4-bis(trifluoromethyl)-1H-pyrrole
CID 339380
1H-Pyrrole-3-carboximidamide
CID 176662
1H-Pyrrole-1,2,3,4,5-d5
CID 16212259
1H-pyrrol-3-ylmethanamine
CID 23295846
3-Vinylpyrrole
CID 9989218
1H-Pyrrole, 3-(trifluoromethyl)-
CID 10464390
(1-methyl-1H-pyrrol-3-yl)methanamine
CID 55254375
(1-ethyl-1H-pyrrol-3-yl)methanamine
CID 66407752

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1H-pyrrole?
The IUPAC name of 3-(difluoromethyl)-1H-pyrrole (CID 55286956) is 3-(difluoromethyl)-1H-pyrrole.
What is the SMILES notation for 3-(difluoromethyl)-1H-pyrrole?
The canonical SMILES for 3-(difluoromethyl)-1H-pyrrole is FC(F)c1cc[nH]c1.
What is the InChIKey of 3-(difluoromethyl)-1H-pyrrole?
The InChIKey is VGSOHFZARXAKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N/c6-5(7)4-1-2-8-3-4/h1-3,5,8H.
What are the key properties of 3-(difluoromethyl)-1H-pyrrole?
3-(difluoromethyl)-1H-pyrrole has a molecular weight of 117.10 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1H-pyrrole is sourced from PubChem (CID 55286956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).