1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole

C6H8F3N — CID 123870416

IUPAC1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole
SMILESCN1CC=C(C(F)(F)F)C1
InChIInChI=1S/C6H8F3N/c1-10-3-2-5(4-10)6(7,8)9/h2H,3-4H2,1H3
InChIKeyUSIRFGLPTBOGLB-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.42
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole

1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole (PubChem CID 123870416) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole
PubChem CID123870416
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole
SMILESCN1CC=C(C(F)(F)F)C1
InChIInChI=1S/C6H8F3N/c1-10-3-2-5(4-10)6(7,8)9/h2H,3-4H2,1H3
InChIKeyUSIRFGLPTBOGLB-UHFFFAOYSA-N
XLogP1.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1-(trifluoromethyl)-2,5-dihydropyrrole
CID 68350116
1-(2-Fluoroethyl)-3-methyl-2,5-dihydropyrrole
CID 88589108
1-Methyl-3-(2,2,2-trifluoroethyl)-2,5-dihydropyrrole
CID 117205457
1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine
CID 129207809
1-(2,2,2-Trifluoroethyl)-2,5-dihydropyrrole
CID 139880302
1-(2,2-Difluoroethyl)-2,5-dihydropyrrole
CID 139880316
N,3-dimethyl-N-(3,3,3-trifluoropropyl)but-2-en-1-amine
CID 144221055
3-Methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydropyrrole
CID 155775201
2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine
CID 168995076
N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine
CID 22002036
3-(Fluoromethyl)-1-methyl-2,5-dihydropyrrole
CID 117205462
1-Ethyl-3-(fluoromethyl)-2,5-dihydropyrrole
CID 117205465

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole (CID 123870416) is 1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole is CN1CC=C(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole?
The InChIKey is USIRFGLPTBOGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c1-10-3-2-5(4-10)6(7,8)9/h2H,3-4H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole?
1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole has a molecular weight of 151.13 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-2,5-dihydropyrrole is sourced from PubChem (CID 123870416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).