3,3-difluoro-2-phenylpyrrolidine;hydrochloride

C10H12ClF2N — CID 84724544

IUPAC3,3-difluoro-2-phenylpyrrolidine;hydrochloride
SMILESCl.FC1(F)CCNC1c1ccccc1
InChIInChI=1S/C10H11F2N.ClH/c11-10(12)6-7-13-9(10)8-4-2-1-3-5-8;/h1-5,9,13H,6-7H2;1H
InChIKeyHXRMSOVVRQDGRU-UHFFFAOYSA-N
MW219.66 g/mol
LogP2.78
Rot. Bonds1

About 3,3-difluoro-2-phenylpyrrolidine;hydrochloride

3,3-difluoro-2-phenylpyrrolidine;hydrochloride (PubChem CID 84724544) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 3,3-difluoro-2-phenylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-2-phenylpyrrolidine;hydrochloride
PubChem CID84724544
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name3,3-difluoro-2-phenylpyrrolidine;hydrochloride
SMILESCl.FC1(F)CCNC1c1ccccc1
InChIInChI=1S/C10H11F2N.ClH/c11-10(12)6-7-13-9(10)8-4-2-1-3-5-8;/h1-5,9,13H,6-7H2;1H
InChIKeyHXRMSOVVRQDGRU-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride
CID 115039884
2-(3,3-difluoropyrrolidin-2-yl)phenol
CID 84721047
2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride
CID 115054389
3,3-diethyl-2-phenylpyrrolidine
CID 62721295
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
3,3-difluoro-5-methyl-2-phenylpiperidine
CID 167240440
4-(3,3-difluoropiperidin-2-yl)pyridine
CID 138111206
4,4-difluoro-2-phenylpiperidine;ethane
CID 145285471
(3aR,4R,9bS)-3a-methyl-4-phenyl-1,2,3,4,5,9b-hexahydropyrrolo[3,2-c]quinoline;(3aS,4S,9bR)-3a-methyl-4-phenyl-1,2,3,4,5,9b-hexahydropyrrolo[3,2-c]quinoline;tetrahydrochloride
CID 162190975
3-butan-2-yl-3-methyl-2-phenylpyrrolidine
CID 62722746
4,6-diphenyl-7-azaspiro[4.5]decane
CID 139931601
(2,2-difluorocyclobutyl)benzene
CID 91804683

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-phenylpyrrolidine;hydrochloride?
The IUPAC name of 3,3-difluoro-2-phenylpyrrolidine;hydrochloride (CID 84724544) is 3,3-difluoro-2-phenylpyrrolidine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-2-phenylpyrrolidine;hydrochloride?
The canonical SMILES for 3,3-difluoro-2-phenylpyrrolidine;hydrochloride is Cl.FC1(F)CCNC1c1ccccc1.
What is the InChIKey of 3,3-difluoro-2-phenylpyrrolidine;hydrochloride?
The InChIKey is HXRMSOVVRQDGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N.ClH/c11-10(12)6-7-13-9(10)8-4-2-1-3-5-8;/h1-5,9,13H,6-7H2;1H.
What are the key properties of 3,3-difluoro-2-phenylpyrrolidine;hydrochloride?
3,3-difluoro-2-phenylpyrrolidine;hydrochloride has a molecular weight of 219.66 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-phenylpyrrolidine;hydrochloride is sourced from PubChem (CID 84724544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).