3-methyl-5-(trifluoromethyl)-2H-pyrrole

C6H6F3N — CID 167682700

IUPAC3-methyl-5-(trifluoromethyl)-2H-pyrrole
SMILESCC1=CC(C(F)(F)F)=NC1
InChIInChI=1S/C6H6F3N/c1-4-2-5(10-3-4)6(7,8)9/h2H,3H2,1H3
InChIKeyBTXKFTJAKRSSAR-UHFFFAOYSA-N
MW149.11 g/mol
LogP1.95
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-2H-pyrrole

3-methyl-5-(trifluoromethyl)-2H-pyrrole (PubChem CID 167682700) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-2H-pyrrole
PubChem CID167682700
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name3-methyl-5-(trifluoromethyl)-2H-pyrrole
SMILESCC1=CC(C(F)(F)F)=NC1
InChIInChI=1S/C6H6F3N/c1-4-2-5(10-3-4)6(7,8)9/h2H,3H2,1H3
InChIKeyBTXKFTJAKRSSAR-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
CID 58326592
5-(trifluoromethyl)-2H-pyrrole
CID 58924994
(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679
2-methyl-3-(trifluoromethyl)-2H-pyrrole
CID 123603361
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole
CID 138509508
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-2H-pyrrole (CID 167682700) is 3-methyl-5-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-2H-pyrrole is CC1=CC(C(F)(F)F)=NC1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-2H-pyrrole?
The InChIKey is BTXKFTJAKRSSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c1-4-2-5(10-3-4)6(7,8)9/h2H,3H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-2H-pyrrole?
3-methyl-5-(trifluoromethyl)-2H-pyrrole has a molecular weight of 149.11 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 167682700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).