4-(trifluoromethyl)-2H-pyrrole

C5H4F3N — CID 129305257

IUPAC4-(trifluoromethyl)-2H-pyrrole
SMILESFC(F)(F)C1=CCN=C1
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-1-2-9-3-4/h1,3H,2H2
InChIKeyZPNWSODUVWJWHT-UHFFFAOYSA-N
MW135.09 g/mol
LogP1.56
Rot. Bonds

About 4-(trifluoromethyl)-2H-pyrrole

4-(trifluoromethyl)-2H-pyrrole (PubChem CID 129305257) has the molecular formula C5H4F3N and a molecular weight of 135.09 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name4-(trifluoromethyl)-2H-pyrrole
PubChem CID129305257
Molecular FormulaC5H4F3N
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name4-(trifluoromethyl)-2H-pyrrole
SMILESFC(F)(F)C1=CCN=C1
InChIInChI=1S/C5H4F3N/c6-5(7,8)4-1-2-9-3-4/h1,3H,2H2
InChIKeyZPNWSODUVWJWHT-UHFFFAOYSA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 51.56
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
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
4-(difluoromethyl)-2H-pyrrole
CID 174763295
3-(difluoromethyl)-2H-pyrrole
CID 175291518

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 4-(trifluoromethyl)-2H-pyrrole (CID 129305257) is 4-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 4-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 4-(trifluoromethyl)-2H-pyrrole is FC(F)(F)C1=CCN=C1.
What is the InChIKey of 4-(trifluoromethyl)-2H-pyrrole?
The InChIKey is ZPNWSODUVWJWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N/c6-5(7,8)4-1-2-9-3-4/h1,3H,2H2.
What are the key properties of 4-(trifluoromethyl)-2H-pyrrole?
4-(trifluoromethyl)-2H-pyrrole has a molecular weight of 135.09 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 129305257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).