(2S)-2-(2,5-difluorophenyl)pyrrolidine

C10H11F2N — CID 7176288

IUPAC(2S)-2-(2,5-difluorophenyl)pyrrolidine
SMILESFc1ccc(F)c([C@@H]2CCCN2)c1
InChIInChI=1S/C10H11F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m0/s1
InChIKeyNCXSNNVYILYEBC-JTQLQIEISA-N
MW183.20 g/mol
LogP2.39
Rot. Bonds1

About (2S)-2-(2,5-difluorophenyl)pyrrolidine

(2S)-2-(2,5-difluorophenyl)pyrrolidine (PubChem CID 7176288) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is (2S)-2-(2,5-difluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2,5-difluorophenyl)pyrrolidine
PubChem CID7176288
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name(2S)-2-(2,5-difluorophenyl)pyrrolidine
SMILESFc1ccc(F)c([C@@H]2CCCN2)c1
InChIInChI=1S/C10H11F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m0/s1
InChIKeyNCXSNNVYILYEBC-JTQLQIEISA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 174947937
CID 174947937
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
[4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenyl]methanol
CID 68912942
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine
CID 77131569
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
4-fluoro-2-pyrrolidin-2-ylbenzoic acid
CID 66690944

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-difluorophenyl)pyrrolidine?
The IUPAC name of (2S)-2-(2,5-difluorophenyl)pyrrolidine (CID 7176288) is (2S)-2-(2,5-difluorophenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2,5-difluorophenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2,5-difluorophenyl)pyrrolidine is Fc1ccc(F)c([C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-2-(2,5-difluorophenyl)pyrrolidine?
The InChIKey is NCXSNNVYILYEBC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m0/s1.
What are the key properties of (2S)-2-(2,5-difluorophenyl)pyrrolidine?
(2S)-2-(2,5-difluorophenyl)pyrrolidine has a molecular weight of 183.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-difluorophenyl)pyrrolidine is sourced from PubChem (CID 7176288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).