3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine

C7H14FNO2S — CID 84720548

IUPAC3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine
SMILESO=S(=O)(CF)CCC1CCNC1
InChIInChI=1S/C7H14FNO2S/c8-6-12(10,11)4-2-7-1-3-9-5-7/h7,9H,1-6H2
InChIKeyMXIXZZAUDRJPGP-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.33
Rot. Bonds4

About 3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine

3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine (PubChem CID 84720548) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine
PubChem CID84720548
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine
SMILESO=S(=O)(CF)CCC1CCNC1
InChIInChI=1S/C7H14FNO2S/c8-6-12(10,11)4-2-7-1-3-9-5-7/h7,9H,1-6H2
InChIKeyMXIXZZAUDRJPGP-UHFFFAOYSA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methanesulfonyl-4-(trifluoromethyl)pyrrolidine
CID 122237253
(3As,6as)-hexahydro-2h-thieno[2,3-c]pyrrole 1,1-dioxide
CID 25324035
(3aR,6aR)-hexahydro-2H-1lambda6-thieno[2,3-c]pyrrole-1,1-dione
CID 25324033
1Lambda6-thia-7-azaspiro[4.4]nonane-1,1-dione
CID 105436280
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 61057655
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-difluoroethanamine
CID 61058644
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62987551
4-(Fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 71306124
N-[(1,1-dioxothiolan-3-yl)methyl]-2-fluoroethanamine
CID 80695503
N-[(1,1-dioxothiolan-2-yl)methyl]-2-fluoroethanamine
CID 81039416
N-[(1,1-dioxothiolan-3-yl)methyl]-3-fluoropropan-1-amine
CID 81105893
3-(2-Fluoroethylsulfonyl)pyrrolidine
CID 84657957

Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine (CID 84720548) is 3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine is O=S(=O)(CF)CCC1CCNC1.
What is the InChIKey of 3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine?
The InChIKey is MXIXZZAUDRJPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-6-12(10,11)4-2-7-1-3-9-5-7/h7,9H,1-6H2.
What are the key properties of 3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine?
3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine has a molecular weight of 195.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethylsulfonyl)ethyl]pyrrolidine is sourced from PubChem (CID 84720548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).