trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane

C6H12F3NOS — CID 14508470

IUPACtrifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane
SMILESCOC[C@@H]1CCCN1S(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-11-5-6-3-2-4-10(6)12(7,8)9/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyMVCCAPWKRZNCKV-LURJTMIESA-N
MW203.23 g/mol
LogP2.47
Rot. Bonds3

About trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane

trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane (PubChem CID 14508470) has the molecular formula C6H12F3NOS and a molecular weight of 203.23 g/mol. Its IUPAC name is trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane
PubChem CID14508470
Molecular FormulaC6H12F3NOS
Molecular Weight203.23 g/mol
Exact Mass203.06
IUPAC Nametrifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane
SMILESCOC[C@@H]1CCCN1S(F)(F)F
InChIInChI=1S/C6H12F3NOS/c1-11-5-6-3-2-4-10(6)12(7,8)9/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyMVCCAPWKRZNCKV-LURJTMIESA-N
XLogP2.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane?
The IUPAC name of trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane (CID 14508470) is trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane.
What is the SMILES notation for trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane?
The canonical SMILES for trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane is COC[C@@H]1CCCN1S(F)(F)F.
What is the InChIKey of trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane?
The InChIKey is MVCCAPWKRZNCKV-LURJTMIESA-N. The full InChI is InChI=1S/C6H12F3NOS/c1-11-5-6-3-2-4-10(6)12(7,8)9/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane?
trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane has a molecular weight of 203.23 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-λ4-sulfane is sourced from PubChem (CID 14508470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).