3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine

C12H16FNS — CID 84790383

IUPAC3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine
SMILESCSc1ccc(F)cc1CC1CCNC1
InChIInChI=1S/C12H16FNS/c1-15-12-3-2-11(13)7-10(12)6-9-4-5-14-8-9/h2-3,7,9,14H,4-6,8H2,1H3
InChIKeyFVPOSWZGWVOQFE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.70
Rot. Bonds3

About 3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine

3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine (PubChem CID 84790383) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine
PubChem CID84790383
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine
SMILESCSc1ccc(F)cc1CC1CCNC1
InChIInChI=1S/C12H16FNS/c1-15-12-3-2-11(13)7-10(12)6-9-4-5-14-8-9/h2-3,7,9,14H,4-6,8H2,1H3
InChIKeyFVPOSWZGWVOQFE-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-4-methylsulfanylphenyl)methyl]pyrrolidine
CID 84813773
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine
CID 62372661
3-[(2-chloro-5-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84802168
3-[(3-chloro-5-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 84802159
5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632364
6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632400
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
4-[[2,4-bis(methylsulfanyl)phenyl]methyl]piperidine
CID 117422419
3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84789080
3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine
CID 84788099

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine (CID 84790383) is 3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine is CSc1ccc(F)cc1CC1CCNC1.
What is the InChIKey of 3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine?
The InChIKey is FVPOSWZGWVOQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-15-12-3-2-11(13)7-10(12)6-9-4-5-14-8-9/h2-3,7,9,14H,4-6,8H2,1H3.
What are the key properties of 3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine?
3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine has a molecular weight of 225.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84790383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).