(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine

C11H12F3N — CID 66518805

IUPAC(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine
SMILESFc1ccc([C@H]2CCCN2)cc1C(F)F
InChIInChI=1S/C11H12F3N/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h3-4,6,10-11,15H,1-2,5H2/t10-/m1/s1
InChIKeyVLNJSJRRDWHANH-SNVBAGLBSA-N
MW215.22 g/mol
LogP3.19
Rot. Bonds2

About (2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine

(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine (PubChem CID 66518805) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is (2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine
PubChem CID66518805
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine
SMILESFc1ccc([C@H]2CCCN2)cc1C(F)F
InChIInChI=1S/C11H12F3N/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h3-4,6,10-11,15H,1-2,5H2/t10-/m1/s1
InChIKeyVLNJSJRRDWHANH-SNVBAGLBSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196281
2-(3-ethyl-4-fluorophenyl)pyrrolidine
CID 117284037
2-(3-ethenyl-4-fluorophenyl)pyrrolidine
CID 172576187
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326
2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine
CID 77131569
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447
2-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 84788156
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine?
The IUPAC name of (2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine (CID 66518805) is (2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine?
The canonical SMILES for (2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine is Fc1ccc([C@H]2CCCN2)cc1C(F)F.
What is the InChIKey of (2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine?
The InChIKey is VLNJSJRRDWHANH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12F3N/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h3-4,6,10-11,15H,1-2,5H2/t10-/m1/s1.
What are the key properties of (2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine?
(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine has a molecular weight of 215.22 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine is sourced from PubChem (CID 66518805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).