3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole

C8H10F3N — CID 58326592

IUPAC3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
SMILESCC(C)C1=CC(C(F)(F)F)=NC1
InChIInChI=1S/C8H10F3N/c1-5(2)6-3-7(12-4-6)8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyCELRBFXOVPFWLH-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.59
Rot. Bonds1

About 3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole

3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole (PubChem CID 58326592) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
PubChem CID58326592
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
SMILESCC(C)C1=CC(C(F)(F)F)=NC1
InChIInChI=1S/C8H10F3N/c1-5(2)6-3-7(12-4-6)8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyCELRBFXOVPFWLH-UHFFFAOYSA-N
XLogP2.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 70307572
(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
3-Ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 90820070
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
CID 118188276
5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole
CID 118344869
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
3-propan-2-yl-7-(trifluoromethyl)-2H-azepine
CID 126748774
3-(1,3-difluoro-2-methylpropan-2-yl)-5-propan-2-yl-2H-pyrrole
CID 134299333
2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole
CID 138509508

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole (CID 58326592) is 3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole is CC(C)C1=CC(C(F)(F)F)=NC1.
What is the InChIKey of 3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole?
The InChIKey is CELRBFXOVPFWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5(2)6-3-7(12-4-6)8(9,10)11/h3,5H,4H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole?
3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole has a molecular weight of 177.17 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 58326592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).