[3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite

C12H16FNS — CID 143664570

IUPAC[3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite
SMILESCc1cc(SF)ccc1C1CCCN1C
InChIInChI=1S/C12H16FNS/c1-9-8-10(15-13)5-6-11(9)12-4-3-7-14(12)2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyGOQXEYUTYKTIPF-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.74
Rot. Bonds2

About [3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite

[3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite (PubChem CID 143664570) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is [3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite.

Molecular Properties

Compound Name[3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite
PubChem CID143664570
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name[3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite
SMILESCc1cc(SF)ccc1C1CCCN1C
InChIInChI=1S/C12H16FNS/c1-9-8-10(15-13)5-6-11(9)12-4-3-7-14(12)2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyGOQXEYUTYKTIPF-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane
CID 90801610
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
[1-methyl-5-(2-methyl-4-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379930
6-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)pyridine
CID 102542565
1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-2-one
CID 78173633
2-methyl-5-(1-methylpyrrolidin-2-yl)aniline
CID 82279453
4-methyl-3-(1-methylpiperidin-2-yl)pyridine
CID 102539165
4-[4-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]morpholine
CID 102543259
2-[2-(difluoromethyl)-5-fluorophenyl]-1-methylpyrrolidine;ethane
CID 143961490
3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine
CID 11991400
4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine
CID 23386065

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite?
The IUPAC name of [3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite (CID 143664570) is [3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite.
What is the SMILES notation for [3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite?
The canonical SMILES for [3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite is Cc1cc(SF)ccc1C1CCCN1C.
What is the InChIKey of [3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite?
The InChIKey is GOQXEYUTYKTIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-9-8-10(15-13)5-6-11(9)12-4-3-7-14(12)2/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of [3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite?
[3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite has a molecular weight of 225.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite is sourced from PubChem (CID 143664570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).