1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride

C11H12ClF4N — CID 22645922

IUPAC1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
SMILESCl.FC1(F)CN(Cc2ccccc2)CC1(F)F
InChIInChI=1S/C11H11F4N.ClH/c12-10(13)7-16(8-11(10,14)15)6-9-4-2-1-3-5-9;/h1-5H,6-8H2;1H
InChIKeyROCXKOFXIYTVTM-UHFFFAOYSA-N
MW269.67 g/mol
LogP3.19
Rot. Bonds2

About 1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride

1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride (PubChem CID 22645922) has the molecular formula C11H12ClF4N and a molecular weight of 269.67 g/mol. Its IUPAC name is 1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
PubChem CID22645922
Molecular FormulaC11H12ClF4N
Molecular Weight269.67 g/mol
Exact Mass269.06
IUPAC Name1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
SMILESCl.FC1(F)CN(Cc2ccccc2)CC1(F)F
InChIInChI=1S/C11H11F4N.ClH/c12-10(13)7-16(8-11(10,14)15)6-9-4-2-1-3-5-9;/h1-5H,6-8H2;1H
InChIKeyROCXKOFXIYTVTM-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(4R)-1-benzyl-3,3-difluoro-4-phenylpiperidin-4-ol
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[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
CID 131168959
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
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1-benzyl-3-chloro-3-ethylazetidine
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CID 136545779

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride?
The IUPAC name of 1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride (CID 22645922) is 1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride.
What is the SMILES notation for 1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride?
The canonical SMILES for 1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride is Cl.FC1(F)CN(Cc2ccccc2)CC1(F)F.
What is the InChIKey of 1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride?
The InChIKey is ROCXKOFXIYTVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N.ClH/c12-10(13)7-16(8-11(10,14)15)6-9-4-2-1-3-5-9;/h1-5H,6-8H2;1H.
What are the key properties of 1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride?
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride has a molecular weight of 269.67 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride is sourced from PubChem (CID 22645922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).