3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine

C14H18F3N — CID 90103620

IUPAC3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESFC(F)(F)CCN1CCC(Cc2ccccc2)C1
InChIInChI=1S/C14H18F3N/c15-14(16,17)7-9-18-8-6-13(11-18)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyXKVKUBHXQHHVSX-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.50
Rot. Bonds4

About 3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine

3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine (PubChem CID 90103620) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine.

Molecular Properties

Compound Name3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine
PubChem CID90103620
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESFC(F)(F)CCN1CCC(Cc2ccccc2)C1
InChIInChI=1S/C14H18F3N/c15-14(16,17)7-9-18-8-6-13(11-18)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyXKVKUBHXQHHVSX-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-benzyl-1-octylpyrrolidine
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1-[2-[(3S)-3-benzylpyrrolidin-1-yl]ethyl]pyrazole
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2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane
CID 169005094
1-phenyl-4-(3,3,3-trifluoropropyl)piperazine
CID 141293309
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol
CID 64818556
3-(2-bromoethyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 114800427
1-[4-(4-benzylpiperidin-1-yl)butyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472633
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
CID 124758221
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CID 155778719

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
The IUPAC name of 3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine (CID 90103620) is 3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine.
What is the SMILES notation for 3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
The canonical SMILES for 3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine is FC(F)(F)CCN1CCC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
The InChIKey is XKVKUBHXQHHVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-14(16,17)7-9-18-8-6-13(11-18)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of 3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine has a molecular weight of 257.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine is sourced from PubChem (CID 90103620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).