2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine

C11H12F3N — CID 104688006

IUPAC2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
SMILESFc1cc(CC2CCCN2)cc(F)c1F
InChIInChI=1S/C11H12F3N/c12-9-5-7(6-10(13)11(9)14)4-8-2-1-3-15-8/h5-6,8,15H,1-4H2
InChIKeyCGPWVNKRHSNLOK-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.40
Rot. Bonds2

About 2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine

2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine (PubChem CID 104688006) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
PubChem CID104688006
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
SMILESFc1cc(CC2CCCN2)cc(F)c1F
InChIInChI=1S/C11H12F3N/c12-9-5-7(6-10(13)11(9)14)4-8-2-1-3-15-8/h5-6,8,15H,1-4H2
InChIKeyCGPWVNKRHSNLOK-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117301523
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
CID 84665550
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine
CID 117381311
3-fluoro-2-hydroxy-5-(pyrrolidin-2-ylmethyl)benzoic acid
CID 117350354
2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine
CID 117118294
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine
CID 117356661
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine (CID 104688006) is 2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine is Fc1cc(CC2CCCN2)cc(F)c1F.
What is the InChIKey of 2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine?
The InChIKey is CGPWVNKRHSNLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-9-5-7(6-10(13)11(9)14)4-8-2-1-3-15-8/h5-6,8,15H,1-4H2.
What are the key properties of 2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine?
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine has a molecular weight of 215.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 104688006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).