(2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride

C11H14ClF2NS — CID 146303218

IUPAC(2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride
SMILESCSc1cc(F)cc([C@H]2C[C@H](F)CN2)c1.Cl
InChIInChI=1S/C11H13F2NS.ClH/c1-15-10-3-7(2-8(12)4-10)11-5-9(13)6-14-11;/h2-4,9,11,14H,5-6H2,1H3;1H/t9-,11+;/m0./s1
InChIKeyGEOHACNHYNYHFV-QLSWKGBWSA-N
MW265.76 g/mol
LogP3.34
Rot. Bonds2

About (2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride

(2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride (PubChem CID 146303218) has the molecular formula C11H14ClF2NS and a molecular weight of 265.76 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride
PubChem CID146303218
Molecular FormulaC11H14ClF2NS
Molecular Weight265.76 g/mol
Exact Mass265.05
IUPAC Name(2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride
SMILESCSc1cc(F)cc([C@H]2C[C@H](F)CN2)c1.Cl
InChIInChI=1S/C11H13F2NS.ClH/c1-15-10-3-7(2-8(12)4-10)11-5-9(13)6-14-11;/h2-4,9,11,14H,5-6H2,1H3;1H/t9-,11+;/m0./s1
InChIKeyGEOHACNHYNYHFV-QLSWKGBWSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine
CID 126652081
3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine
CID 126623835
2-(4-bromophenyl)-4-fluoropyrrolidine
CID 84728357
2-(3-bromophenyl)-4-fluoropyrrolidine
CID 84728358
(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 175530284
4-fluoro-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 115031722
4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide
CID 153334918
4-fluoro-2-(2-fluorophenyl)pyrrolidine
CID 83854073
(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 67330070
4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine
CID 79705317
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 131223525
(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride
CID 171192618

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride (CID 146303218) is (2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride is CSc1cc(F)cc([C@H]2C[C@H](F)CN2)c1.Cl.
What is the InChIKey of (2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride?
The InChIKey is GEOHACNHYNYHFV-QLSWKGBWSA-N. The full InChI is InChI=1S/C11H13F2NS.ClH/c1-15-10-3-7(2-8(12)4-10)11-5-9(13)6-14-11;/h2-4,9,11,14H,5-6H2,1H3;1H/t9-,11+;/m0./s1.
What are the key properties of (2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride?
(2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride has a molecular weight of 265.76 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 146303218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).