4-(difluoromethyl)-2H-pyrrole

C5H5F2N — CID 174763295

IUPAC4-(difluoromethyl)-2H-pyrrole
SMILESFC(F)C1=CCN=C1
InChIInChI=1S/C5H5F2N/c6-5(7)4-1-2-8-3-4/h1,3,5H,2H2
InChIKeyHOBJOBJSLVMQSZ-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.26
Rot. Bonds1

About 4-(difluoromethyl)-2H-pyrrole

4-(difluoromethyl)-2H-pyrrole (PubChem CID 174763295) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name4-(difluoromethyl)-2H-pyrrole
PubChem CID174763295
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name4-(difluoromethyl)-2H-pyrrole
SMILESFC(F)C1=CCN=C1
InChIInChI=1S/C5H5F2N/c6-5(7)4-1-2-8-3-4/h1,3,5H,2H2
InChIKeyHOBJOBJSLVMQSZ-UHFFFAOYSA-N
XLogP1.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2H-pyrrole
CID 58270127
N-methyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 90766400
N-methyl-2-(trifluoromethyl)but-2-en-1-imine
CID 123716011
(E)-N-ethyl-2-(trifluoromethyl)but-2-en-1-imine
CID 124182063
(E)-N-methyl-2-(trifluoromethyl)but-2-en-1-imine
CID 124184066
4-(trifluoromethyl)-2H-pyrrole
CID 129305257
2-(difluoromethyl)-N-methylprop-2-en-1-imine
CID 139563770
3-(difluoromethyl)-4-methyl-2H-pyrrole
CID 161178243
4-methyl-3-(trifluoromethyl)-2H-pyrrole
CID 161178244
3-(trifluoromethyl)-2H-pyrrole
CID 162063614
5-fluoro-4-methyl-2H-pyrrole
CID 173508426
3-(difluoromethyl)-2H-pyrrole
CID 175291518

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2H-pyrrole?
The IUPAC name of 4-(difluoromethyl)-2H-pyrrole (CID 174763295) is 4-(difluoromethyl)-2H-pyrrole.
What is the SMILES notation for 4-(difluoromethyl)-2H-pyrrole?
The canonical SMILES for 4-(difluoromethyl)-2H-pyrrole is FC(F)C1=CCN=C1.
What is the InChIKey of 4-(difluoromethyl)-2H-pyrrole?
The InChIKey is HOBJOBJSLVMQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N/c6-5(7)4-1-2-8-3-4/h1,3,5H,2H2.
What are the key properties of 4-(difluoromethyl)-2H-pyrrole?
4-(difluoromethyl)-2H-pyrrole has a molecular weight of 117.10 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2H-pyrrole is sourced from PubChem (CID 174763295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).