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

C6H10FN — CID 117205462

IUPAC3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole
SMILESCN1CC=C(CF)C1
InChIInChI=1S/C6H10FN/c1-8-3-2-6(4-7)5-8/h2H,3-5H2,1H3
InChIKeyXDVHDRUTFYQYFA-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.83
Rot. Bonds1

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

3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole (PubChem CID 117205462) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole
PubChem CID117205462
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole
SMILESCN1CC=C(CF)C1
InChIInChI=1S/C6H10FN/c1-8-3-2-6(4-7)5-8/h2H,3-5H2,1H3
InChIKeyXDVHDRUTFYQYFA-UHFFFAOYSA-N
XLogP0.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoropropyl)-2,5-dihydro-1H-pyrrole
CID 145874744
3-Methyl-1-(trifluoromethyl)-2,5-dihydropyrrole
CID 68350116
1-(2-Fluoroethyl)-3-methyl-2,5-dihydropyrrole
CID 88589108
3-Fluoro-1-methyl-2,5-dihydropyrrole
CID 90903503
1-Methyl-3-(trifluoromethyl)-2,5-dihydropyrrole
CID 123870416
3-Ethylidene-1-(3-fluoropropyl)azetidine
CID 139336467
1-(1-Fluoroethyl)-2,5-dihydropyrrole
CID 139880311
N,3-dimethyl-N-(3,3,3-trifluoropropyl)but-2-en-1-amine
CID 144221055
(E)-N-ethyl-2-fluoro-N-methylbut-2-en-1-amine
CID 146384574
3-Methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydropyrrole
CID 155775201
1-fluoro-N,N,2-trimethylprop-2-en-1-amine
CID 57352257
1-Ethyl-3-(fluoromethyl)-2,5-dihydropyrrole
CID 117205465

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole?
The IUPAC name of 3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole (CID 117205462) is 3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole.
What is the SMILES notation for 3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole?
The canonical SMILES for 3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole is CN1CC=C(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole?
The InChIKey is XDVHDRUTFYQYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-8-3-2-6(4-7)5-8/h2H,3-5H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole?
3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole has a molecular weight of 115.15 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 117205462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).