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

C10H11ClFN — CID 68787865

IUPAC3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride
SMILESCl.Fc1ccccc1C1=CCNC1
InChIInChI=1S/C10H10FN.ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;/h1-5,12H,6-7H2;1H
InChIKeyDSNOAWHETOYKSA-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.23
Rot. Bonds1

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

3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride (PubChem CID 68787865) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride
PubChem CID68787865
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride
SMILESCl.Fc1ccccc1C1=CCNC1
InChIInChI=1S/C10H10FN.ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;/h1-5,12H,6-7H2;1H
InChIKeyDSNOAWHETOYKSA-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dihydro-1H-pyrrol-3-yl)phenol
CID 105431636
3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole
CID 90702914
3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole
CID 57315459
3-(2,5-dihydro-1H-pyrrol-3-yl)-1,2-benzothiazole
CID 171510226
3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole
CID 130949274
1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene
CID 21261243
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4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
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1,4-bis(2-fluorophenyl)benzene
CID 58121760
4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
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3-fluoro-4-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
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3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid
CID 151683948

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
The IUPAC name of 3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride (CID 68787865) is 3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride.
What is the SMILES notation for 3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
The canonical SMILES for 3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride is Cl.Fc1ccccc1C1=CCNC1.
What is the InChIKey of 3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
The InChIKey is DSNOAWHETOYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN.ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;/h1-5,12H,6-7H2;1H.
What are the key properties of 3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride?
3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride has a molecular weight of 199.66 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride is sourced from PubChem (CID 68787865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).