3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride

C5H7ClF3N — CID 155145024

IUPAC3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
SMILESCl.FC(F)(F)C1=CCNC1
InChIInChI=1S/C5H6F3N.ClH/c6-5(7,8)4-1-2-9-3-4;/h1,9H,2-3H2;1H
InChIKeyGKZDSPKGQFOXTD-UHFFFAOYSA-N
MW173.56 g/mol
LogP1.50
Rot. Bonds

About 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride

3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride (PubChem CID 155145024) has the molecular formula C5H7ClF3N and a molecular weight of 173.56 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
PubChem CID155145024
Molecular FormulaC5H7ClF3N
Molecular Weight173.56 g/mol
Exact Mass173.02
IUPAC Name3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
SMILESCl.FC(F)(F)C1=CCNC1
InChIInChI=1S/C5H6F3N.ClH/c6-5(7,8)4-1-2-9-3-4;/h1,9H,2-3H2;1H
InChIKeyGKZDSPKGQFOXTD-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole hydrochloride
CID 155144947
3-fluoro-2,5-dihydro-1H-pyrrole hydrochloride
CID 138987644
3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole
CID 68685876
3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
CID 155144953
3,4-bis(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
CID 71733189
3-methyl-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 103605107
3-methyl-N-(3,3,3-trifluoropropyl)but-2-en-1-amine
CID 106547253
3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine
CID 106737170
N-(2,2-difluoroethyl)-3-methylbut-2-en-1-amine
CID 107900199
3-(fluoromethyl)-2,5-dihydro-1H-pyrrole
CID 117205483
2-fluoro-4-methyl-2,5-dihydro-1H-pyrrole
CID 175304727

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride (CID 155145024) is 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride is Cl.FC(F)(F)C1=CCNC1.
What is the InChIKey of 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
The InChIKey is GKZDSPKGQFOXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N.ClH/c6-5(7,8)4-1-2-9-3-4;/h1,9H,2-3H2;1H.
What are the key properties of 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride has a molecular weight of 173.56 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride is sourced from PubChem (CID 155145024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).