2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine

C12H16FNOS — CID 117355654

IUPAC2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine
SMILESCOc1c(SC)cc(F)cc1C1CCCN1
InChIInChI=1S/C12H16FNOS/c1-15-12-9(10-4-3-5-14-10)6-8(13)7-11(12)16-2/h6-7,10,14H,3-5H2,1-2H3
InChIKeyAMPKVOLTABRBLZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.98
Rot. Bonds3

About 2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine

2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine (PubChem CID 117355654) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine
PubChem CID117355654
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine
SMILESCOc1c(SC)cc(F)cc1C1CCCN1
InChIInChI=1S/C12H16FNOS/c1-15-12-9(10-4-3-5-14-10)6-8(13)7-11(12)16-2/h6-7,10,14H,3-5H2,1-2H3
InChIKeyAMPKVOLTABRBLZ-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
CID 84677004
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
2-(3-bromo-4-methoxy-5-methylsulfanylphenyl)pyrrolidine
CID 117486891
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 84706284
2-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]pyrrolidine
CID 84702557
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine
CID 165356724
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
CID 84686830
5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 142533269

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine?
The IUPAC name of 2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine (CID 117355654) is 2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine.
What is the SMILES notation for 2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine?
The canonical SMILES for 2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine is COc1c(SC)cc(F)cc1C1CCCN1.
What is the InChIKey of 2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine?
The InChIKey is AMPKVOLTABRBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-15-12-9(10-4-3-5-14-10)6-8(13)7-11(12)16-2/h6-7,10,14H,3-5H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine?
2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine has a molecular weight of 241.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine is sourced from PubChem (CID 117355654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).