2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine

C11H12F3N — CID 77131569

IUPAC2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine
SMILESFc1ccc(C(F)F)cc1C1CCCN1
InChIInChI=1S/C11H12F3N/c12-9-4-3-7(11(13)14)6-8(9)10-2-1-5-15-10/h3-4,6,10-11,15H,1-2,5H2
InChIKeyBMFMBAOAVMXYHL-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.19
Rot. Bonds2

About 2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine

2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine (PubChem CID 77131569) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine
PubChem CID77131569
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine
SMILESFc1ccc(C(F)F)cc1C1CCCN1
InChIInChI=1S/C11H12F3N/c12-9-4-3-7(11(13)14)6-8(9)10-2-1-5-15-10/h3-4,6,10-11,15H,1-2,5H2
InChIKeyBMFMBAOAVMXYHL-UHFFFAOYSA-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

2-[2-chloro-5-(difluoromethyl)phenyl]piperidine
CID 84705366
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
CID 174947937
CID 174947937
4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol
CID 84677007
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine
CID 66518805
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine?
The IUPAC name of 2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine (CID 77131569) is 2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine.
What is the SMILES notation for 2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine?
The canonical SMILES for 2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine is Fc1ccc(C(F)F)cc1C1CCCN1.
What is the InChIKey of 2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine?
The InChIKey is BMFMBAOAVMXYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-9-4-3-7(11(13)14)6-8(9)10-2-1-5-15-10/h3-4,6,10-11,15H,1-2,5H2.
What are the key properties of 2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine?
2-[5-(difluoromethyl)-2-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 2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine is sourced from PubChem (CID 77131569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).