3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one

C7H10F3NOS — CID 116628338

IUPAC3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one
SMILESO=C1NCCC1CCSC(F)(F)F
InChIInChI=1S/C7H10F3NOS/c8-7(9,10)13-4-2-5-1-3-11-6(5)12/h5H,1-4H2,(H,11,12)
InChIKeyAHXPDMQNJMVRPE-UHFFFAOYSA-N
MW213.22 g/mol
LogP1.77
Rot. Bonds3

About 3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one

3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one (PubChem CID 116628338) has the molecular formula C7H10F3NOS and a molecular weight of 213.22 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one
PubChem CID116628338
Molecular FormulaC7H10F3NOS
Molecular Weight213.22 g/mol
Exact Mass213.04
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one
SMILESO=C1NCCC1CCSC(F)(F)F
InChIInChI=1S/C7H10F3NOS/c8-7(9,10)13-4-2-5-1-3-11-6(5)12/h5H,1-4H2,(H,11,12)
InChIKeyAHXPDMQNJMVRPE-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 77340123
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CID 129360656
3-(iodomethyl)pyrrolidin-2-one
CID 90057877
3-[(3R)-2-oxopyrrolidin-3-yl]propanamide
CID 167094318
3-(5-hydroxypentyl)pyrrolidin-2-one
CID 104679269
3-(3-oxobutyl)pyrrolidin-2-one
CID 82416368
3-[2-(trifluoromethoxy)ethyl]azepan-2-one
CID 104679592
3-[2-(2-hydroxyethylsulfanyl)ethyl]azepan-2-one
CID 141003947
3-(3-methylsulfonylpropyl)pyrrolidin-2-one
CID 104679318
3-aminopyrrolidin-2-one
CID 158709416
3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one
CID 104679374

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one (CID 116628338) is 3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one is O=C1NCCC1CCSC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one?
The InChIKey is AHXPDMQNJMVRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NOS/c8-7(9,10)13-4-2-5-1-3-11-6(5)12/h5H,1-4H2,(H,11,12).
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one?
3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one has a molecular weight of 213.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 116628338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).