(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine

C11H13F2N — CID 139526642

IUPAC(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
SMILESCN1CCC[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C11H13F2N/c1-14-6-2-3-11(14)9-7-8(12)4-5-10(9)13/h4-5,7,11H,2-3,6H2,1H3/t11-/m0/s1
InChIKeyCPFRNGGCSJKJSI-NSHDSACASA-N
MW197.23 g/mol
LogP2.73
Rot. Bonds1

About (2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine

(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine (PubChem CID 139526642) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
PubChem CID139526642
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
SMILESCN1CCC[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C11H13F2N/c1-14-6-2-3-11(14)9-7-8(12)4-5-10(9)13/h4-5,7,11H,2-3,6H2,1H3/t11-/m0/s1
InChIKeyCPFRNGGCSJKJSI-NSHDSACASA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-1-methylazetidine
CID 68991011
2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane
CID 143961490
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
2-(2,5-difluorophenyl)-1,4-dimethylpiperazine
CID 116856393
2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline
CID 82279455
2-(2,5-difluorophenyl)azepane-1-carbaldehyde
CID 176681918
5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 129068214
2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine
CID 10132798
2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-nitro-1H-pyrrole
CID 174941019
5-chloro-2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-methylimidazole-4-carbonitrile
CID 166306917
2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine
CID 166330262
N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropyl]methanesulfonamide
CID 175189596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine?
The IUPAC name of (2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine (CID 139526642) is (2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine is CN1CCC[C@H]1c1cc(F)ccc1F.
What is the InChIKey of (2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine?
The InChIKey is CPFRNGGCSJKJSI-NSHDSACASA-N. The full InChI is InChI=1S/C11H13F2N/c1-14-6-2-3-11(14)9-7-8(12)4-5-10(9)13/h4-5,7,11H,2-3,6H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine?
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine has a molecular weight of 197.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine is sourced from PubChem (CID 139526642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).