4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole

C7H10F3N — CID 168993435

IUPAC4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole
SMILESCC1=CN(CC(F)(F)F)CC1
InChIInChI=1S/C7H10F3N/c1-6-2-3-11(4-6)5-7(8,9)10/h4H,2-3,5H2,1H3
InChIKeyCOARTSRFTKMLJY-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.16
Rot. Bonds1

About 4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole

4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole (PubChem CID 168993435) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole
PubChem CID168993435
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole
SMILESCC1=CN(CC(F)(F)F)CC1
InChIInChI=1S/C7H10F3N/c1-6-2-3-11(4-6)5-7(8,9)10/h4H,2-3,5H2,1H3
InChIKeyCOARTSRFTKMLJY-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-(trifluoromethyl)-2,3-dihydropyrrole
CID 123719750
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)pyrrolidine
CID 124118180
1,2,2-trifluoro-N,3-dimethyl-N-(trifluoromethyl)but-3-en-1-amine
CID 134531029
4-(Difluoromethyl)-1-methyl-2,3-dihydropyrrole
CID 150920860
(Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine
CID 156509220
N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine
CID 166140934
1-Butyl-4-fluoro-2,3-dihydropyrrole
CID 169251520
3,3-Difluoro-1-(3-methylbut-3-enyl)pyrrolidine
CID 131177753
1,4-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole
CID 162586938
1-(3-Fluoropropyl)-4-methyl-2,3-dihydropyrrole
CID 164561497
1-Ethyl-4-methyl-2,3-dihydropyrrole
CID 22419349
1,4-Dimethyl-2,3-dihydropyrrole
CID 54463352

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole (CID 168993435) is 4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole is CC1=CN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole?
The InChIKey is COARTSRFTKMLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-6-2-3-11(4-6)5-7(8,9)10/h4H,2-3,5H2,1H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole?
4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole has a molecular weight of 165.16 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 168993435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).